Lithocholic Acid

CAS: 434-13-9

Ref. TR-L469180

Product Information

• Name: Lithocholic Acid
• Synonyms: (3α,5β)-3-Hydroxycholan-24-oic acid, 17β-(1-Methyl-3-carboxypropyl)etiocholan-3α-ol, 3-Hydroxycholan-24-oic acid, 3α-Hydroxy-5β-cholan-24-oate, 3α-Hydroxy-5β-cholan-24-oic acid, 3α-Hydroxy-5β-cholanic acid, 3α-Hydroxy-5β-cholanoic acid, 3α-Hydroxycholanic acid, NSC 683770
• Brand: TRC
• Description: Applications A 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: 376.57
• Formula: C₂₄H₄₀O₃
• Color/Form: White To Off-White
• 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
• InChI key: InChIKey=SMEROWZSTRWXGI-HVATVPOCSA-N
• SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C