Lithocholic Acid-d5 (Major)

CAS: 83701-16-0

Ref. TR-L469183

Product Information

• Name: Lithocholic Acid-d5 (Major)
• Synonyms: (3α,5β)-3-Hydroxycholan-24-oic Acid-d5, 17β-(1-Methyl-3-carboxypropyl)etiocholan- 3α-ol-d5, 3-Hydroxycholan-24-oic Acid-d5, 3α-Hydroxy-5β-cholan-24-oate-d5, 3α-Hydroxy-5β-cholan-24-oic Acid-d5, 3α-Hydroxy-5β-cholanic Acid-d5, 3α-Hydroxy-5β-cholanoic Acid-d5, 3α-Hydroxycholanic Acid-d5, NSC 683770-d5
• Brand: TRC
• Description: Applications A labelled cholic acid derivative as TGR5 modulator. Found in ox bile, human bile, rabbit bile, and in ox and pig gallstones.References Brindle, J., et al.: Nat. Med., 12, 1439 (2002), Lindon, J., et al.: Biomarkers, 9, 1 (2004), Holmes, E., et al.: Cell, 134, 714 (2008),

Chemical properties

• Molecular weight: 381.6
• Formula: C₂₄H₃₅D₅O₃
• Color/Form: Neat
• InChI: InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15?,16-,17-,18+,19+,20+,21+,23+,24-/m1/s1/i10D2,14D2,17D
• InChI key: InChIKey=SMEROWZSTRWXGI-QXCUFRBQSA-N
• SMILES: [2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](C(C)CCC(=O)O)CC[C@H]4[C@@H]3CC[C@@H]2C([2H])([2H])[C@]1([2H])O