Name: 25-Epi-28-epi-cyasterone
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218850008
Cas No:
常用名:25-Epi-28-epi-cyasterone
IUPAC:(3R,4S,5S)-4-[(2R,3R)-3-[(1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxybutyl]-3,5-dimethyloxolan-2-one
IUPAC:(3R,4S,5S)-4-[(2R,3R)-3-[(1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxybutyl]-3,5-dimethyloxolan-2-one
InChI key:NEFYSBQJYCICOG-LGVKSGJWSA-N

分子式:C29H44O8
分子量:520.663
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@](C)(O)[C@H](O)C[C@@H]1[C@H](C)OC(=O)[C@@H]1C
SMILES:[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@](C)(O)[C@H](O)C[C@@H]1[C@H](C)OC(=O)[C@@H]1C

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