Products 566-24-5

CAS 566-24-5 appears in our catalog under these names: Cholic Acid Impurity 2, Isochenodeoxycholic Acid, Isochenodeoxycholic Acid, >95% (HPLC), Isochenodeoxycholic acid, Isochenodeoxycholic acid 98%. Offered by: Chemat Brand, TRC, GLPBio, Biosynth, Ambeed. Available pack sizes: on request, 10mg, 50mg, 5mg, 1mg, 25mg, 100mg, 250mg.

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

3beta,7alpha-dihydroxy-5beta-cholan-24-oic acid is a dihydroxy-5beta-cholanic acid in which the two hydroxy groups are located at positions 3beta and 7alpha. The 3beta-hydroxy epimer of chenodeoxycholic acid. It has a role as a human metabolite. It is a dihydroxy-5beta-cholanic acid, a bile acid, a 3beta-hydroxy steroid and a 7alpha-hydroxy steroid. It is a conjugate acid of a 3beta,7alpha-dihydroxy-5beta-cholan-24-oate.

Source: ChEBI

Identity
Molecular formulaC24H40O4
Molecular weight392.6 g/mol
IUPAC name(4R)-4-[(3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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
InChIKeyRUDATBOHQWOJDD-JGFDLHJZSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C

Computed by PubChem (NCBI)