Name: Cholic acid-d4
Rating: 5 (10 reviews)

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HIT ID:HIT212020935
Cas No:116380-66-6
常用名:Cholic acid-d4
别名:胆酸-d4
IUPAC:(4R)-4-[(1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
IUPAC:(4R)-4-[(1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
InChI key:BHQCQFFYRZLCQQ-YFEOEUIKSA-N

分子式:C24H40O5
分子量:412.603
氢键供体数 (HBD):4
氢键受体数 (HBA):5
LogP:2.4824944
SMILES:[2H]C1([2H])C[C@]2(C)[C@H]3C[C@H](O)[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)=O
SMILES:[2H]C1([2H])C[C@]2(C)[C@H]3C[C@H](O)[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)=O

Cholic acid-d4 is a deuterated compound of cholic acid, suitable for isotope tracing. Cholic acid is the primary bile acid produced by the liver and is used in metabolic studies.

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