Name: Chenodeoxycholic acid 7-sulfate sodium
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT220773961
Cas No:
常用名:Chenodeoxycholic acid 7-sulfate sodium
常用名:Chenodeoxycholic acid 7-sulfate sodium
IUPAC:disodium (4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-4-(sulfonatooxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
IUPAC:disodium (4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-4-(sulfonatooxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
InChI key:InChIKey=QZZKHLLUZHFQPE-VQNKLXGESA-L

分子式:C24H38Na2O7S
分子量:516.6
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS([O-])(=O)=O)[C@H](C)CCC([O-])=O
SMILES:[Na+].[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS([O-])(=O)=O)[C@H](C)CCC([O-])=O

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