Deoxycholic acid-d4 | 去氧胆酸-d4 | Deoxycholic-2,2,4,4-d4 Acid | CAS 112076-61-6 | AnyMole

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HIT212761894

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HIT212761894

HIT ID:HIT212761894
Cas No:112076-61-6
常用名:Deoxycholic acid-d4
别名:去氧胆酸-d4, Deoxycholic-2,2,4,4-d4 Acid
IUPAC:(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
IUPAC:(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
InChI key:KXGVEGMKQFWNSR-FCSCGBJGSA-N

分子式:C24H40O4
分子量:396.604
氢键供体数 (HBD):3
氢键受体数 (HBA):4
LogP:3.7912593
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]3CC[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]3CC[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(O)=O

Deoxycholic-2,2,4,4-d4 Acid is a deuterated compound of Deoxycholic Acid, suitable for isotope labelling. Deoxycholic Acid is a bile acid and TGR5 activator.

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TargetMolSC
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AA BlocksBB
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4-6周
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