6α-hydroxy Cholesterol
HIT212730884
sdf文件结构编辑类似物检索
HIT ID: HIT212730884
Cas No: 41083-73-2
分子式: C27H48O2
分子量: 404.679
常用名: 6α-hydroxy Cholesterol
氢键受体数 (HBA): 2
氢键供体数 (HBD): 2
LogP: 6.209704
IUPAC: (1R,3aS,3bS,5S,5aS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthrene-5,7-diol
IUPAC: (1R,3aS,3bS,5S,5aS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthrene-5,7-diol
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI key: PMWTYEQRXYIMND-XNZKQLDXSA-N
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