Name: Glycochenodeoxycholic Acid-d4
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212728748
Cas No:1201918-16-2
常用名:Glycochenodeoxycholic Acid-d4
IUPAC:2-[(4R)-4-[(1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetic acid
IUPAC:2-[(4R)-4-[(1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetic acid
InChI key:GHCZAUBVMUEKKP-PKIQRPOYSA-N

分子式:C26H43NO5
分子量:453.656
氢键供体数 (HBD):4
氢键受体数 (HBA):5
LogP:2.6080222
SMILES:[2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](O)C[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(=O)NCC(O)=O
SMILES:[2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](O)C[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(=O)NCC(O)=O

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