Name: 5α-Hydroxy-6-keto cholesterol
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320430
Cas No:13027-33-3
常用名:5α-Hydroxy-6-keto cholesterol
IUPAC:(1R,3aS,3bS,5aR,7S,9aR,9bS,11aR)-5a,7-dihydroxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-5-one
IUPAC:(1R,3aS,3bS,5aR,7S,9aR,9bS,11aR)-5a,7-dihydroxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-5-one
InChI key:SJZZRXMQSAXCFD-ZCBMJONGSA-N

分子式:C27H46O3
分子量:418.662
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C

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