Products 208038-28-2

CAS 208038-28-2 is the registry number for Ursodeoxycholic acid acyl-β-D-glucuronide. Offered by: Biosynth. Available pack sizes: 2mg, 1mg, 5mg.

Ursodeoxycholic acid acyl-β-D-glucuronide
Biosynth
  • size: 2mg, 1mg, 5mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[(4R)-4-[(3R,5S,7S,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 (CAS 208038-28-2) is a chemical compound with the molecular formula C30H48O10 and a molecular weight of 568.7 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[(4R)-4-[(3R,5S,7S,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. InChIKey: ZTJBLIAPAIPNJE-HRDSWUDVSA-N.

Identity
Molecular formulaC30H48O10
Molecular weight568.7 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[(4R)-4-[(3R,5S,7S,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-HRDSWUDVSA-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)

Synonyms: URSODEOXYCHOLIC ACID ACYL-B-D-GLUCURONIDE, Ursodeoxycholic Acid Acyl-?-D-glucuronide, ~85%, 1-[(3?,5?,7?)-3,7-Dhydroxycholan-24-oate-?-D-glucopyranuronic Acid;, Ursodeoxycholic Acid Acyl-beta-D-glucuronide, >85per cent, Ursodeoxycholic Acid Acyl-?-D-glucuronide
Related forms of this compound
(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 C30H48O10
Isomers (same molecular formula)
(2S,3S,4S,5R,6R)-6-[[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-7-hydroxy-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 C30H48O10
[(2R)-2-[(2S,4aR,4bS,7R,8aS)-2,4b,8,8-tetramethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-acetyloxyethyl] acetate C30H48O10