Sengosterone
HIT218850053
sdf文件结构编辑类似物检索
HIT ID: HIT218850053
Cas No:
分子式: C29H44O9
分子量: 536.662
常用名: Sengosterone
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S,4S,5R)-4-[(2R,3R)-3-[(1S,3aS,5aS,7R,8S,9aR,9bR,11aR)-3a,5a,7,8-tetrahydroxy-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: (3S,4S,5R)-4-[(2R,3R)-3-[(1S,3aS,5aS,7R,8S,9aR,9bR,11aR)-3a,5a,7,8-tetrahydroxy-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
SMILES: [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4(O)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(O)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
InChI key: YQCOGGGDJXBMBU-JIVHLSMOSA-N
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