Products 208038-27-1

CAS 208038-27-1 appears in our catalog under these names: Chenodeoxycholic Acid 24–Acyl–β–D–Glucuronide, Chenodeoxycholic Acid 24-Acyl-ß-D-Glucuronide, Chenodeoxycholic Acid 24-Acyl-Beta-D-glucuronide, >95% (HPLC), Chenodeoxycholic acid 24-acyl-b-D-glucuronide, Chenodeoxycholic acid 24-acyl-β-D-glucuronide, 98%, 98%. Offered by: GLPBio, Chemat Brand, TRC, Biosynth, Chemat. Available pack sizes: 1mg, on request, 10mg, 2,5mg, 5mg, 2mg, 50mg, 25mg.

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

Chenodeoxycholic acid 24-O-(beta-D-glucuronide) is a steroid glucosiduronic acid obtained by formal condensation of the carboxy group of chenodeoxycholic acid with the anomeric hydroxy group of beta-D-glucuronic acid. It has a role as a human urinary metabolite. It is a beta-D-glucosiduronic acid, a steroid glucosiduronic acid and an O-acyl carbohydrate. It is functionally related to a chenodeoxycholic acid. It is a conjugate acid of a chenodeoxycholic acid 24-O-(beta-D-glucuronide)(1-).

Source: ChEBI

Identity
Molecular formulaC30H48O10
Molecular weight568.7 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[(4R)-4-[(3R,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]pentanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyZTJBLIAPAIPNJE-BWGRGVIUSA-N
SMILESC[C@H](CCC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C

Computed by PubChem (NCBI)