Name: Glycochenodeoxycholic acid 3-sulfate disodium
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219586585
Cas No:66874-09-7
常用名:Glycochenodeoxycholic acid 3-sulfate disodium
常用名:Glycochenodeoxycholic acid 3-sulfate disodium
别名:糖切去氧胆酸 3-硫酸二钠盐
IUPAC:sodium 2-[(4R)-4-[(1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11aR)-4-hydroxy-9a,11a-dimethyl-7-{[(sodiooxy)sulfonyl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetate
IUPAC:sodium 2-[(4R)-4-[(1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11aR)-4-hydroxy-9a,11a-dimethyl-7-{[(sodiooxy)sulfonyl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetate
InChI key:MJXWPLXHDUSUKI-KZRRTRIISA-L

分子式:C26H41NNa2O8S
分子量:573.65
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[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(=O)(=O)O[Na])[C@H](C)CCC(=O)NCC(=O)O[Na]
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(=O)(=O)O[Na])[C@H](C)CCC(=O)NCC(=O)O[Na]

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