860069

Lithocholic acid

98%

• Synonym(s): 3α-Hydroxy-5β-cholan-24-oic acid, 3α-Hydroxy-5β-cholanic acid, 5β-Cholan-24-oic acid-3α-ol
• Empirical Formula (Hill Notation): C₂₄H₄₀O₃
• CAS Number: 434-13-9
• Molecular Weight: 376.57
• Beilstein/REAXYS Number: 3217757
• EC Number: 207-099-1
• MDL number: MFCD00003682
• UNSPSC Code: 12352103

Properties

• assay: 98%
• optical activity: [α]20/D +33.7°, c = 1.5 in ethanol
• mp: 183-188 °C (lit.)
• SMILES string: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
• 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: SMEROWZSTRWXGI-HVATVPOCSA-N

Description

Features and Benefits

Constituent of bile.