Products 208038-30-6

CAS 208038-30-6 is the registry number for Cholic Acid Acyl Glucuronide, >95% (HPLC). Offered by: TRC. Available pack sizes: 25mg, 5mg.

Cholic Acid Acyl Glucuronide, >95% (HPLC)
TRC
  • size: 25mg, 5mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

Cholic acid 24-O-(beta-D-glucuronide) is a steroid glucosiduronic acid obtained by formal condensation of the carboxy group of cholic 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 cholic acid. It is a conjugate acid of a cholic acid 24-O-(beta-D-glucuronide)(1-).

Source: ChEBI

Identity
Molecular formulaC30H48O11
Molecular weight584.7 g/mol
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(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]pentanoyl]oxyoxane-2-carboxylic acid
InChIKeyAIUGVBWFKAVAIZ-SXYQVCRBSA-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([C@H](C[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)O)C

Computed by PubChem (NCBI)

Synonyms: Cholic Acid Acyl Glucuronide, cholic acid 24-glucuronide, cholic acid 24-beta-glucuronide, cholic acid 24-beta-D-glucuronide, cholic acid 24-O-(beta-D-glucuronide)
Isomers (same molecular formula)
(2S,3S,4S,5R,6R)-6-[[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C30H48O11
(2S,3S,4S,5R,6R)-6-[[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-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-6-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C30H48O11