Name: 3β-hydroxy-5-Cholestenoic Acid
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212731950
Cas No:6561-58-6
常用名:3β-hydroxy-5-Cholestenoic Acid
IUPAC:(6R)-6-[(1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylheptanoic acid
IUPAC:(6R)-6-[(1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylheptanoic acid
InChI key:WVXOMPRLWLXFAP-AMQKJUDNSA-N

分子式:C27H44O3
分子量:416.646
氢键供体数 (HBD):2
氢键受体数 (HBA):3
LogP:6.0486145
SMILES:C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:16|
SMILES:C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:16|

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