Hispidol B
HIT212525225
sdf文件结构编辑类似物检索
HIT ID: HIT212525225
Cas No: 78739-39-6
分子式: C30H52O4
分子量: 476.742
常用名: Hispidol B
氢键受体数 (HBA): 4
氢键供体数 (HBD): 4
LogP: 4.535
IUPAC: (3S,4R,6S)-6-[(3aS,7S,9aR,11aS)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylheptane-2,3,4-triol
IUPAC: (3S,4R,6S)-6-[(3aS,7S,9aR,11aS)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylheptane-2,3,4-triol
SMILES: C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)C1CC[C@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@@]12C |t:16,@@:20|
SMILES: C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)C1CC[C@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@@]12C |t:16,@@:20|
InChI key: MVWLZBQPRMCRKT-XXKDMKEOSA-N
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