(4aR,6aR,6aR,6bR,8aR,10R,12aR,14bR)-10-acetyloxy-2,2,4a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-6a-carboxylic acid

PubChem CID: 21633161

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL557503
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	36.0
Isotope Atom Count	0.0
Molecular Complexity	992.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	8.0
Iupac Name	(4aR,6aR,6aR,6bR,8aR,10R,12aR,14bR)-10-acetyloxy-2,2,4a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-6a-carboxylic acid
Prediction Hob	0.0
Xlogp	8.3
Molecular Formula	C32H50O4
Prediction Swissadme	0.0
Inchi Key	IQYUEJTVDLHZDJ-DOYYAIILSA-N
Fcsp3	0.875
Logs	-5.396
Rotatable Bond Count	3.0
Logd	5.35
Compound Name	(4aR,6aR,6aR,6bR,8aR,10R,12aR,14bR)-10-acetyloxy-2,2,4a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-6a-carboxylic acid
Prediction Hob Swissadme	0.0
Exact Mass	498.371
Formal Charge	0.0
Monoisotopic Mass	498.371
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	498.7
Covalent Unit Count	1.0
Total Atom Stereocenter Count	8.0
Total Bond Stereocenter Count	0.0
Esol	-7.938037600000001
Inchi	InChI=1S/C32H50O4/c1-20(33)36-25-12-13-30(7)23(28(25,4)5)11-14-31(8)24(30)10-9-21-22-19-27(2,3)15-16-29(22,6)17-18-32(21,31)26(34)35/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25+,29+,30-,31+,32+/m0/s1
Smiles	CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C(=O)O)C)C
Nring	5.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Abelia Chinensis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Actinidia Chinensis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aesculus Chinensis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Albizia Chinensis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Albizzia Chinensis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Alocasia Fornicata (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Aloe Vera (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Alpinia Chinensis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Anthocephalus Chinensis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Aralia Chinensis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Artemisia Chinensis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Arundina Chinensis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Astilbe Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
14. Outgoing r'ship FOUND_IN to/from Astilbe Koreana (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Astilbe Macroflora (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Astilbe Myriantha (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Astilbe Odontophylla (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Astilbe Rivularis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Atractylodes Chinensis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Aucuba Chinensis (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Belamcanda Chinensis (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Bergia Suffruticosa (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Blumea Chinensis (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Boerhavia Chinensis (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Breonia Chinensis (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Centaurea Aemulans (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Centaurea Amara (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Centaurea Arbutifolia (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Centaurea Arenaria (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Centaurea Aspera (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Centaurea Behen (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Centaurea Benedicta (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Centaurea Bruguierana (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Centaurea Cadmea (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Centaurea Calcitrapa (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Centaurea Cana (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Centaurea Cheiranthifolia (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Centaurea Collina (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Centaurea Corcubionensis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Centaurea Cyanus (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Centaurea Dealbata (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Centaurea Glastifolia (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Centaurea Hermannii (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Centaurea Hololeuca (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Centaurea Horrida (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Centaurea Iberica (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Centaurea Linifolia (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Centaurea Maculosa (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Centaurea Melitensis (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Centaurea Musimomum (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Centaurea Nigrescens (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Centaurea Scoparia (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Centaurea Seridis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Centaurea Sinaica (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Centaurea Solstitialis (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Centaurea Sonchifolia (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Centaurea Spinosa (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Centaurea Squarrosa (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Centaurea Zuccariniana (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Cineraria Geifolia (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Clausena Suffruticosa (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Clematis Chinensis (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Commelina Suffruticosa (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Coptis Chinensis (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Cryptocarya Chinensis (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Cuscuta Chinensis (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Desmos Chinensis (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Dianthus Chinensis (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Dicliptera Chinensis (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Eremurus Chinensis (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Flueggea Suffruticosa (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Fraxinus Chinensis (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Friesodielsia Fornicata (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Hedera Colchica (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Hedera Helix (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Hedera Nepalensis (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Hedera Rhombea (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Hibiscus Abelmoschus (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Hibiscus Aculeatus (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Hibiscus Cancellatus (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Hibiscus Canescens (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Hibiscus Cannabinus (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Hibiscus Esculentus (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Hibiscus Ficulneus (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Hibiscus Furcatus (Plant) Rel Props:Source_db:npass_chem_all
86. Outgoing r'ship FOUND_IN to/from Hibiscus Hirtus (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Hibiscus Hispidissimus (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Hibiscus Lampas (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Hibiscus Lunariifolius (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Hibiscus Manihot (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Hibiscus Micranthus (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Hibiscus Mutabilis (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Hibiscus Ovalifolius (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Hibiscus Pas (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Hibiscus Platanifolius (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Hibiscus Populneus (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Hibiscus Rosasinensis (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Hibiscus Sabdariffa (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Hibiscus Schizopetalus (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Hibiscus Surattensis (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Hibiscus Syriacus (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Hibiscus Taiwanensis (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Hibiscus Tiliaceus (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Hibiscus Tilliaceus (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Hibiscus Trionum (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Hibiscus Vitifolius (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Hydrangea Chinensis (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Hypoestes Purpurea (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Hypoestes Rosea (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Hypoestes Serpens (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Illicium Anisatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
112. Outgoing r'ship FOUND_IN to/from Illicium Difengpi (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Illicium Griffithii (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Illicium Henryi (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Illicium Jiadifengpi (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Illicium Majus (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Illicium Minwanense (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Illicium Religiosum (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Illicium Simonsii (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Illicium Verum (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Impatiens Chinensis (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Indigofera Suffruticosa (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Inula Britannica (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Iris Lactea (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Ixeris Chinensis (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Ixora Chinensis (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Klaseopsis Chinensis (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Listea Chinensis (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Litchi Chinensis (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Lobelia Chinensis (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Matricaria Suffruticosa (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Matsumurella Chinensis (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Monanthotaxis Congoensis (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Mosla Chinensis (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Odontosoria Chinensis (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Osbeckia Chinensis (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Paederia Chinensis (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Paeonia Delavayi (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Paeonia Emodi (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Paeonia Lactiflora (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Paeonia Obovata (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Paeonia Officinalis (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Paeonia Rockii (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Paeonia Suffruticosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
146. Outgoing r'ship FOUND_IN to/from Paeonia Veitchii (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Pandanus Furcatus (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Persicaria Chinensis (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Pistacia Chinensis (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Polygala Chinensis (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Potentilla Chinensis (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Pothos Chinensis (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Prosopis Cineraria (Plant) Rel Props:Reference:
154. Outgoing r'ship FOUND_IN to/from Pulsatilla Chinensis (Plant) Rel Props:Reference:
155. Outgoing r'ship FOUND_IN to/from Rhus Chinensis (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Rosa Chinensis (Plant) Rel Props:Reference:
157. Outgoing r'ship FOUND_IN to/from Ruellia Suffruticosa (Plant) Rel Props:Reference:
158. Outgoing r'ship FOUND_IN to/from Salacia Chinensis (Plant) Rel Props:Reference:
159. Outgoing r'ship FOUND_IN to/from Saururus Chinensis (Plant) Rel Props:Reference:
160. Outgoing r'ship FOUND_IN to/from Schisandra Chinensis (Plant) Rel Props:Reference:
161. Outgoing r'ship FOUND_IN to/from Scolopia Chinensis (Plant) Rel Props:Reference:
162. Outgoing r'ship FOUND_IN to/from Securinega Suffruticosa (Plant) Rel Props:Reference:
163. Outgoing r'ship FOUND_IN to/from Senecio Chinensis (Plant) Rel Props:Reference:
164. Outgoing r'ship FOUND_IN to/from Simmondsia Chinensis (Plant) Rel Props:Reference:
165. Outgoing r'ship FOUND_IN to/from Siphonostegia Chinensis (Plant) Rel Props:Reference:
166. Outgoing r'ship FOUND_IN to/from Solidago Chinensis (Plant) Rel Props:Reference:
167. Outgoing r'ship FOUND_IN to/from Sphenomeris Chinensis (Plant) Rel Props:Reference:
168. Outgoing r'ship FOUND_IN to/from Stachys Chinensis (Plant) Rel Props:Reference:
169. Outgoing r'ship FOUND_IN to/from Stauntonia Chinensis (Plant) Rel Props:Reference:
170. Outgoing r'ship FOUND_IN to/from Swertia Chinensis (Plant) Rel Props:Reference:
171. Outgoing r'ship FOUND_IN to/from Symplocos Chinensis (Plant) Rel Props:Reference:
172. Outgoing r'ship FOUND_IN to/from Tamarix Chinensis (Plant) Rel Props:Reference:
173. Outgoing r'ship FOUND_IN to/from Taxillus Chinensis (Plant) Rel Props:Reference:
174. Outgoing r'ship FOUND_IN to/from Taxus Chinensis (Plant) Rel Props:Reference:
175. Outgoing r'ship FOUND_IN to/from Thermopsis Chinensis (Plant) Rel Props:Reference:
176. Outgoing r'ship FOUND_IN to/from Trollius Chinensis (Plant) Rel Props:Reference:
177. Outgoing r'ship FOUND_IN to/from Tsuga Chinensis (Plant) Rel Props:Reference:
178. Outgoing r'ship FOUND_IN to/from Tupistra Chinensis (Plant) Rel Props:Reference:
179. Outgoing r'ship FOUND_IN to/from Viola Suffruticosa (Plant) Rel Props:Reference:
180. Outgoing r'ship FOUND_IN to/from Wedelia Chinensis (Plant) Rel Props:Reference:
181. Outgoing r'ship FOUND_IN to/from Xylia Dolabriformis (Plant) Rel Props:Source_db:npass_chem_all
182. Outgoing r'ship FOUND_IN to/from Xylia Xylocarpa (Plant) Rel Props:Reference:

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(4aR,6aR,6aR,6bR,8aR,10R,12aR,14bR)-10-acetyloxy-2,2,4a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-6a-carboxylic acid

Graph

Phytochemical Properties

Associated Connections 182

Plant Connections 182