Name: Methyl-3β-hydroxycholenate
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT102378938
Cas No:20231-57-6
常用名:Methyl-3β-hydroxycholenate
别名:Methyl 3beta-hydroxychol-5-enoate, 5-胆烯-24-酸-3-醇甲酯
别名:Methyl 3beta-hydroxychol-5-enoate, 5-胆烯-24-酸-3-醇甲酯
IUPAC:methyl (4R)-4-[(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]pentanoate
IUPAC:methyl (4R)-4-[(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]pentanoate
InChI key:IMNIZYXAQQBADI-OZECAXSSSA-N

分子式:C25H40O3
分子量:388.592
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:6.493
SMILES:COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:14|
SMILES:COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:14|

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