Alisol A 23-acetate

PubChem CID: 70690607

Connections displayed (default: 10).

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Compound Synonyms	Alisol A 23-acetate, 19865-75-9, [(3R,4S,6R)-2,3-dihydroxy-6-[(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptan-4-yl] acetate, Alisol A-23 Acetate, CHEMBL2059711, AKOS040763647, FS-7797, DA-60915, HY-129162, CS-0103817, (3R,4S,6R)-6-[(3aR,3bS,5aR,9aS,9bS,10S)-10-hydroxy-3a,3b,6,6,9a-pentamethyl-7-oxo-2H,3H,4H,5H,5aH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxy-2-methylheptan-4-yl acetate
Topological Polar Surface Area	104.0
Hydrogen Bond Donor Count	3.0
Heavy Atom Count	38.0
Isotope Atom Count	0.0
Molecular Complexity	1010.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	9.0
Uniprot Id	Q96RI1, P04150, P06401
Iupac Name	[(3R,4S,6R)-2,3-dihydroxy-6-[(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptan-4-yl] acetate
Prediction Hob	0.0
Xlogp	4.4
Molecular Formula	C32H52O6
Prediction Swissadme	0.0
Inchi Key	KRZLECBBHPYBFK-JSWHPQHOSA-N
Fcsp3	0.875
Logs	-4.127
Rotatable Bond Count	7.0
Logd	3.337
Compound Name	Alisol A 23-acetate
Prediction Hob Swissadme	0.0
Exact Mass	532.376
Formal Charge	0.0
Monoisotopic Mass	532.376
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	532.8
Covalent Unit Count	1.0
Total Atom Stereocenter Count	9.0
Total Bond Stereocenter Count	0.0
Esol	-5.459424400000003
Inchi	InChI=1S/C32H52O6/c1-18(16-23(38-19(2)33)27(36)29(5,6)37)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(35)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34,36-37H,10-17H2,1-9H3/t18-,22+,23+,24+,26+,27-,30+,31+,32+/m1/s1
Smiles	C[C@H](C[C@@H]([C@H](C(C)(C)O)O)OC(=O)C)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O
Nring	4.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Alisma Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
2. Outgoing r'ship FOUND_IN to/from Alisma Plantago (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Alisma Plantago-Aquatica (Plant) Rel Props:Source_db:npass_chem_all
4. Outgoing r'ship FOUND_IN to/from Avagola Plantago (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Bunias Orientalis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Canna Orientalis (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Celtis Orientalis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Clematis Orientalis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Consolida Orientalis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Davallia Orientalis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Digitalis Orientalis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Elaeagnus Orientalis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Erythrina Orientalis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Hyacinthus Orientalis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Liquidambar Orientalis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Matteuccia Orientalis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Nauclea Orientalis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Perriera Orientalis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Persicaria Orientalis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Plantago Afra (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Plantago Alpina (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Plantago Amplexicaulis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Plantago Asiatica (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Plantago Bellardi (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Plantago Cornuti (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Plantago Depressa (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Plantago Erosa (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Plantago Himalaica (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Plantago Hostifolia (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Plantago Indica (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Plantago Lanceolata (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Plantago Lundborgii (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Plantago Major (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Plantago Media (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Plantago Ovata (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Plantago Pua (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Plantago Uniflora (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Platanus Orientalis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Platycladus Orientalis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Scutellaria Orientalis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Sida Orientalis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Siegesbeckia Orientalis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Sigesbeckia Orientalis (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Stipa Orientalis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Thuja Orientalis (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Tragopogon Orientalis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Trema Orientalis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Typha Orientalis (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Uncaria Orientalis (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Vismia Orientalis (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Woodwardia Orientalis (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Wulfenia Orientalis (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Zosima Orientalis (Plant) Rel Props:Reference:

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Alisol A 23-acetate

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Phytochemical Properties

Associated Connections 53

Plant Connections 53