24-Nor Ursodeoxycholic Acid Acyl-beta-D-glucuronide

Analyte Name

24-Nor Ursodeoxycholic Acid Acyl-beta-D-glucuronide

Molecular Formula

C29 H46 O10

Molecular Weight

554.669

Accurate Mass

554.309

SMILES

C[C@H](CC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C

InChI

InChI=1S/C29H46O10/c1-13(10-20(32)38-27-24(35)22(33)23(34)25(39-27)26(36)37)16-4-5-17-21-18(7-9-29(16,17)3)28(2)8-6-15(30)11-14(28)12-19(21)31/h13-19,21-25,27,30-31,33-35H,4-12H2,1-3H3,(H,36,37)/t13-,14+,15-,16-,17+,18+,19+,21+,22+,23+,24-,25+,27-,28+,29-/m1/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[(3R)-3-[(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]butanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat