3α,7α,12α-Trihydroxy-5β-cholan-24-oic Acid (Cholic Acid)

CAS: 81-25-4

Ref. 86-MM0835.02-0250

Product Information

• Name: 3α,7α,12α-Trihydroxy-5β-cholan-24-oic Acid (Cholic Acid)
• Synonyms: Cholic Acid, (3a,5ß,7a,12a)-3,7,12-Trihydroxycholan-24-oic acid, Cholic acid, 17ß-[1-Methyl-3-carboxypropyl]etiocholane-3a,7a,12a-triol, 3a,7a,12a-Trihydroxy-5ß-cholan-24-oic acid, 3a,7a,12a-Trihydroxy-5ß-cholanic acid, 3a,7a,12a-Trihydroxy-5ß-cholanoic acid, 3a,7a,12a-Trihydroxy-ß-cholanic acid, 3a,7a,12a-Trihydroxycholanic acid, 5ß-Cholanic acid-3a,7a,12a-triol, 5ß-Cholic acid, Cholalic acid, Cholalin, Colalin, E 1000, NSC-6135, Chenodeoxycholic Acid Impurity B, Ursodeoxycholic Acid Impurity B, (3Alpha,5Beta,7Alpha,12Alpha)-3,7,12-Trihydroxycholan-24-Oic Acid, (3Alpha,5Beta,7Alpha,8Xi,12Alpha,20Xi)-3,7,12-Trihydroxycholan-24-Oic Acid, (3α,5β,7α,12α)-3,7,12-Trihydroxycholan-24-oic acid, (4R)-4-[(3S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-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]pentanoic acid, 17β-[1-Methyl-3-carboxypropyl]etiocholane-3α,7α,12α-triol, 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid, 3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid, 3α,7α,12α-Trihydroxy-5β-cholanic acid, 3α,7α,12α-Trihydroxy-5β-cholanoic acid, 3α,7α,12α-Trihydroxy-β-cholanic acid, 3α,7α,12α-Trihydroxycholanic acid, 5β-Cholanic acid, 3α,7α,12α-trihydroxy-, 5β-Cholanic acid-3α,7α,12α-triol, 5β-Cholic acid, Acide cholique, Acido Colico, Cholan-24-oic acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)-, Cholbam, Cholsaure, Kolbam, Nsc-6135, Orphacol
• Brand: Mikromol

Chemical properties

• Molecular weight: 408.57
• Formula: C₂₄H₄₀O₅
• Color/Form: Neat
• InChI: InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
• InChI key: InChIKey=BHQCQFFYRZLCQQ-OELDTZBJSA-N
• SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O