CAS Number
Molecular Formula
C30H48O11
Product format
Neat
Molecular Weight
584.70
API Family
Synonyms
Cholic acid glucuronide; Cholate glucuronide; 76060-22-5; EBS4S6OAM3; DTXSID601124308; beta-D-Glucopyranosiduronic acid, (3alpha, 5beta, 7alpha, 12alpha)-23-carboxy-7, 12-dihydroxy-24-norcholan-3-yl; 3alpha, 7alpha, 12alpha-trihydroxy-5beta-cholan-24-oic acid 3-D-glucuronide; 7, 12-dihydroxy-3-O-(beta-D-glucopyranosyluronate)-5 beta-cholan-24-oate; RefChem:905948; DTXCID001555838; (3alpha, 5beta, 7alpha, 12alpha)-23-Carboxy-7, 12-dihydroxy-24-norcholan-3-yl beta-D-glucopyranosiduronic acid; UNII-EBS4S6OAM3; Cholic acid 3-o-glucuronide; (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; 7, 12-Dihydroxy-3-O-(beta-D-glucopyranosyluronate)-5beta-cholan-24-oate; SCHEMBL1656548; CHEBI:137056; LMST05010044; NS00116736; 7 and 12-dihydroxy-3-o-(beta-d-glucopyranosyluronate)-5beta-cholan-24-oic acid
Iupac Name
(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 and 5-trihydroxyoxane-2-carboxylic acid
InChI
InChI=1S/C30H48O11/c1-13(4-7-21(33)34)16-5-6-17-22-18(12-20(32)30(16,17)3)29(2)9-8-15(10-14(29)11-19(22)31)40-28-25(37)23(35)24(36)26(41-28)27(38)39/h13-20,22-26,28,31-32,35-37H,4-12H2,1-3H3,(H,33,34)(H,38,39)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1
