Name: Alisol A 23-acetate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317320
Cas No:19865-75-9
常用名:Alisol A 23-acetate
IUPAC:(3R,4S,6R)-6-[(3aR,3bS,5aR,9aS,9bS,10S)-10-hydroxy-3a,3b,6,6,9a-pentamethyl-7-oxo-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxy-2-methylheptan-4-yl acetate
IUPAC:(3R,4S,6R)-6-[(3aR,3bS,5aR,9aS,9bS,10S)-10-hydroxy-3a,3b,6,6,9a-pentamethyl-7-oxo-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxy-2-methylheptan-4-yl acetate
InChI key:KRZLECBBHPYBFK-JSWHPQHOSA-N

分子式:C32H52O6
分子量:532.762
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](OC(C)=O)[C@@H](O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |t:11|
SMILES:[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](OC(C)=O)[C@@H](O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |t:11|

Alisol A 23-acetate may possess therapeutic effects through their modulation of AR, PR, and GR pathways.

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