Name: 3α,6α,7α,12α-Tetrahydroxy bile acid
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220773905
Cas No:80875-92-9
常用名:3α,6α,7α,12α-Tetrahydroxy bile acid
常用名:3α,6α,7α,12α-Tetrahydroxy bile acid
IUPAC:(4R)-4-[(1R,3aS,3bR,4S,5R,5aR,7R,9aR,9bS,11S,11aR)-4,5,7,11-tetrahydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
IUPAC:(4R)-4-[(1R,3aS,3bR,4S,5R,5aR,7R,9aR,9bS,11S,11aR)-4,5,7,11-tetrahydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
InChI key:InChIKey=COCMFMBNEAMQMA-NQTCFNIESA-N

分子式:C24H40O6
分子量:424.578
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O

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