(3a,5b,6a,12a)-3,6,12-Trihydroxy-Cholan-24-Oic Acid
[CAS# 21066-18-2]

Identification

• Name: (3a,5b,6a,12a)-3,6,12-Trihydroxy-Cholan-24-Oic Acid
• Synonyms: (4R)-4-[(3R,5R,6S,8R,9S,10R,12S,13R,14S,17R)-3,6,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 3,6,12-Tcna; 3,6,12-Trihydroxycholanoic Acid
• Molecular Formula: C₂₄H₄₀O₅
• Molecular Weight: 408.58
• CAS Registry Number: 21066-18-2
• SMILES: [C@@H]4([C@@H](CCC(=O)O)C)[C@@]3([C@H]([C@@H]2C[C@@H]([C@@H]1C[C@@H](CC[C@@]1([C@H]2C[C@@H]3O)C)O)O)CC4)C
• InChI: 1S/C24H40O5/c1-13(4-7-22(28)29)16-5-6-17-15-11-20(26)19-10-14(25)8-9-23(19,2)18(15)12-21(27)24(16,17)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16-,17+,18+,19+,20+,21+,23-,24-/m1/s1
• InChIKey: GCAHOAMXTYBLNZ-XUPDPMAXSA-N