CAS Number
Molecular Formula
C32H51NO11
Product format
Neat
Molecular Weight
625.76
API Family
Synonyms
Glycochenodeoxycholic acid 3-glucuronide; 79254-98-1; N-(3alpha, 7alpha-dihydroxy-5beta-cholan-24-oyl)-glycine 3-D-glucuronide; RefChem:143904; Glycochenodeoxycholate 3-glucuronide; (2S, 3S, 4S, 5R, 6R)-6-[[(3R, 5R, 7R, 8R, 9S, 10S, 13R, 14S, 17R)-17-[(2R)-5-(carboxymethylamino)-5-oxopentan-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 and 5-trihydroxyoxane-2-carboxylic acid; orb2564132; CHEBI:166729; DTXSID701274667; HY-N11429; LMST05010048; CS-0646129
Iupac Name
(2S, 3S, 4S, 5R, 6R)-6-[[(3R, 5R, 7R, 8R, 9S, 10S, 13R, 14S, 17R)-17-[(2R)-5-(carboxymethylamino)-5-oxopentan-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 and 5-trihydroxyoxane-2-carboxylic acid
InChI
InChI=1S/C32H51NO11/c1-15(4-7-22(35)33-14-23(36)37)18-5-6-19-24-20(9-11-32(18,19)3)31(2)10-8-17(12-16(31)13-21(24)34)43-30-27(40)25(38)26(39)28(44-30)29(41)42/h15-21,24-28,30,34,38-40H,4-14H2,1-3H3,(H,33,35)(H,36,37)(H,41,42)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26+,27-,28+,30-,31+,32-/m1/s1
