Bryodulcosigenin
HIT212665317
sdf文件结构编辑类似物检索
HIT ID: HIT212665317
Cas No: 4965-97-3
分子式: C30H50O4
分子量: 474.726
常用名: Bryodulcosigenin
氢键受体数 (HBA): 4
氢键供体数 (HBD): 3
LogP: 4.9426084
IUPAC: (1R,3aS,3bS,7S,9aR,9bR,11aR)-1-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7-hydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one
IUPAC: (1R,3aS,3bS,7S,9aR,9bR,11aR)-1-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7-hydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one
SMILES: [H][C@@]12CC[C@H](O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)CC[C@H]([C@H](C)CCC(O)C(C)(C)O)[C@@]3(C)CC(=O)[C@@]21C |c:10|
SMILES: [H][C@@]12CC[C@H](O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)CC[C@H]([C@H](C)CCC(O)C(C)(C)O)[C@@]3(C)CC(=O)[C@@]21C |c:10|
InChI key: FPMQKXQOBKDVHF-ZGUWQJCPSA-N
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