CAS Number
Molecular Formula
C33H51NO12.2Na
Product format
Neat
Molecular Weight
653.77 2*22.99
Shipping
Room Temperature
API Family
Synonyms
75672-42-3; Glycocholic Acid 3-O-beta-Glucuronide Disodium Salt; Cholane, ss-D-Glucopyranosiduronic Acid Derivative; (3a, 5ss, 7a, 12a)-24-[(Carboxymethyl)amino]-7, 12-dihydroxy-24-oxocholan-3-yl and ss-D-Glucopyranosiduronic Acid Disodium Salt
Iupac Name
disodium;(2S, 3S, 5R, 6R)-6-[[(3R, 5R, 7R, 8R, 9S, 10S, 12S, 13R, 14S, 17R)-17-[(2R)-5-(2-carboxylatoethylamino)-5-oxopentan-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-carboxylate
InChI
InChI=1S/C33H53NO12.2Na/c1-15(4-7-23(37)34-11-9-24(38)39)18-5-6-19-25-20(14-22(36)33(18,19)3)32(2)10-8-17(12-16(32)13-21(25)35)45-31-28(42)26(40)27(41)29(46-31)30(43)44;;/h15-22,25-29,31,35-36,40-42H,4-14H2,1-3H3,(H,34,37)(H,38,39)(H,43,44);;/q;2*+1/p-2/t15-,16+,17-,18-,19+,20+,21-,22+,25+,26?,27+,28-,29+,31-,32+,33-;;/m1../s1
