[(1S,2S,3aR,5R,6E,10S,13S,13aS)-3a,10,13-triacetyloxy-13a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-2,3,5,10,11,13-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate

PubChem CID: 11433490

Connections displayed (default: 10).

Loading graph...

ℹ️ Click here to know more about the properties

Compound Synonyms	CHEMBL453511
Topological Polar Surface Area	160.0
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	44.0
Isotope Atom Count	0.0
Molecular Complexity	1230.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	7.0
Iupac Name	[(1S,2S,3aR,5R,6E,10S,13S,13aS)-3a,10,13-triacetyloxy-13a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-2,3,5,10,11,13-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
Prediction Hob	0.0
Xlogp	3.7
Molecular Formula	C33H40O11
Prediction Swissadme	0.0
Inchi Key	BRDRQNZVFVARSQ-VBDNCCIJSA-N
Fcsp3	0.5151515151515151
Logs	-4.279
Rotatable Bond Count	9.0
Logd	2.226
Compound Name	[(1S,2S,3aR,5R,6E,10S,13S,13aS)-3a,10,13-triacetyloxy-13a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-2,3,5,10,11,13-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
Prediction Hob Swissadme	0.0
Exact Mass	612.257
Formal Charge	0.0
Monoisotopic Mass	612.257
Hydrogen Bond Acceptor Count	11.0
Molecular Weight	612.7
Covalent Unit Count	1.0
Total Atom Stereocenter Count	7.0
Total Bond Stereocenter Count	1.0
Esol	-5.482775490909091
Inchi	InChI=1S/C33H40O11/c1-18-14-15-31(7,8)27(38)25(41-21(4)34)16-19(2)28(42-22(5)35)33(40)29(43-30(39)24-12-10-9-11-13-24)20(3)17-32(33,26(18)37)44-23(6)36/h9-15,18,20,25,28-29,40H,2,16-17H2,1,3-8H3/b15-14+/t18-,20+,25+,28+,29+,32+,33-/m1/s1
Smiles	C[C@H]1C[C@@]2(C(=O)[C@@H](/C=C/C(C(=O)[C@H](CC(=C)[C@@H]([C@]2([C@H]1OC(=O)C3=CC=CC=C3)O)OC(=O)C)OC(=O)C)(C)C)C)OC(=O)C
Nring	3.0
Defined Bond Stereocenter Count	1.0

1. Outgoing r'ship FOUND_IN to/from Acacia Pubescens (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Aeollanthus Pubescens (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Angelica Pubescens (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Betula Pubescens (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Calystegia Pubescens (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Centrosema Pubescens (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Cinchona Pubescens (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Consolida Pubescens (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Dugdhik Euphorbia (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Ehretia Pubescens (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Epimedium Pubescens (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Euphorbia Acaulis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Euphorbia Aellenii (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Euphorbia Amygdaloides (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Euphorbia Antiquorum (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Euphorbia Armena (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Euphorbia Atoto (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Euphorbia Balsamifera (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Euphorbia Barnhartii (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Euphorbia Biglandulosa (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Euphorbia Bombaiensis (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Euphorbia Broteri (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Euphorbia Caducifolia (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Euphorbia Cattimandoo (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Euphorbia Chamaesyce (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Euphorbia Characias (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Euphorbia Cheiradenia (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Euphorbia Clarkeana (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Euphorbia Cornigera (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Euphorbia Cuneata (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Euphorbia Cyathophora (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Euphorbia Decipiens (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Euphorbia Dracunculoides (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Euphorbia Ebracteolata (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Euphorbia Esula (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Euphorbia Ferganensis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Euphorbia Fischeriana (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Euphorbia Formosana (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Euphorbia Fortissima (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Euphorbia Franckiana (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Euphorbia Fusiformis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Euphorbia Granulata (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Euphorbia Helioscopia (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Euphorbia Heterophylla (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Euphorbia Heyneana (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Euphorbia Hirta (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Euphorbia Hispida (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Euphorbia Humifusa (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Euphorbia Hylonoma (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Euphorbia Hypericifolia (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Euphorbia Hyssopifolia (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Euphorbia Iberica (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Euphorbia Indica (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Euphorbia Ingens (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Euphorbia Jaxartica (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Euphorbia Jolkinii (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Euphorbia Kamerunica (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Euphorbia Kansui (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Euphorbia Lacei (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Euphorbia Lactea (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Euphorbia Laeta (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Euphorbia Lagascae (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Euphorbia Lamprocarpa (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Euphorbia Latazi (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Euphorbia Lathyris (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Euphorbia Leuconeura (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Euphorbia Longan (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Euphorbia Lunulata (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Euphorbia Maculata (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Euphorbia Maddenii (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Euphorbia Makinoi (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Euphorbia Marginata (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Euphorbia Micractina (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Euphorbia Microphylla (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Euphorbia Milii (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Euphorbia Myrsinites (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Euphorbia Nematocypha (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Euphorbia Neriifolia (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Euphorbia Nerrifolia (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Euphorbia Nivulia (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Euphorbia Officinarum (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Euphorbia Onicrophylla (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Euphorbia Orbiculata (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Euphorbia Pallens (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Euphorbia Palustris (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Euphorbia Pannonica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Euphorbia Paralias (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Euphorbia Pekinensis (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Euphorbia Peplus (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Euphorbia Pilosa (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Euphorbia Pilulifera (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Euphorbia Pithyusa (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Euphorbia Poisonii (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Euphorbia Polygonifolia (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Euphorbia Portlandica (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Euphorbia Prolifera (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Euphorbia Prostrata (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Euphorbia Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
99. Outgoing r'ship FOUND_IN to/from Euphorbia Pulcherrima (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Euphorbia Quinquecostata (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Euphorbia Resinifera (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Euphorbia Retusa (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Euphorbia Rosea (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Euphorbia Rothiana (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Euphorbia Royleana (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Euphorbia Sancta (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Euphorbia Sapinii (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Euphorbia Segetalis (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Euphorbia Serpens (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Euphorbia Sieboldiana (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Euphorbia Sikkimensis (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Euphorbia Splendens (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Euphorbia Stepposa (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Euphorbia Stracheyi (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Euphorbia Supina (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Euphorbia Thomsoniana (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Euphorbia Thymifolia (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Euphorbia Tibetica (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Euphorbia Tirucalli (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Euphorbia Tithymaloides (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Euphorbia Tortilis (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Euphorbia Trigona (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Euphorbia Turczaninowii (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Euphorbia Umbellata (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Euphorbia Wallichii (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Euphorbia Wangii (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Holarrhena Pubescens (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Ilex Pubescens (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Kallstroemia Pubescens (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Metzgeria Pubescens (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Micromelum Pubescens (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Morinda Pubescens (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Mussaenda Pubescens (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Nymphaea Pubescens (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Otholobium Pubescens (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Peltogyne Pubescens (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Physalis Pubescens (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Pogostemon Pubescens (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Siegesbeckia Orientalis (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Sigesbeckia Pubescens (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Solanum Pubescens (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Swertia Pubescens (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Syringa Pubescens (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Vasconcellea Pubescens (Plant) Rel Props:Reference:

Back to Browse Back to Home

GRAYU Website

Grayu

[(1S,2S,3aR,5R,6E,10S,13S,13aS)-3a,10,13-triacetyloxy-13a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-2,3,5,10,11,13-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate

Graph

Phytochemical Properties

Associated Connections 144

Plant Connections 144