Products 81-25-4

CAS 81-25-4 appears in our catalog under these names: Cholic acid, min. 99 %, 25 g, plastic, Cholic acid, 97%, Cholic Acid, Cholic Acid, >95% (HPLC), 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic Acid (Cholic Acid). Offered by: Roth, Combi-blocks, Chemat Brand, TRC, Mikromol. Available pack sizes: 25g, 500g, 100g, 5g, on request, 50g, 250mg, 20mg.

Structural formula: {0} (CAS {1})

Cholic acid is a bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12. It has a role as a mouse metabolite and a human metabolite. It is a C24-steroid, a trihydroxy-5beta-cholanic acid, a bile acid, a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid and a 12alpha-hydroxy steroid. It is a conjugate acid of a cholate.

Source: ChEBI

Identity
Molecular formulaC24H40O5
Molecular weight408.6 g/mol
IUPAC name(4R)-4-[(3R,5S,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
InChIKeyBHQCQFFYRZLCQQ-OELDTZBJSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Computed by PubChem (NCBI)