Analyte Name

Tolmetin O-Benzyl beta-D-Glucuronide

Molecular Formula

C28 H29 N O9

Molecular Weight

523.531

Accurate Mass

523.184

SMILES

Cc1ccc(cc1)C(=O)c2ccc(CC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)OCc4ccccc4)n2C

InChI

InChI=1S/C28H29NO9/c1-16-8-10-18(11-9-16)22(31)20-13-12-19(29(20)2)14-21(30)37-28-25(34)23(32)24(33)26(38-28)27(35)36-15-17-6-4-3-5-7-17/h3-13,23-26,28,32-34H,14-15H2,1-2H3/t23-,24-,25+,26-,28+/m0/s1

IUPAC

benzyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]oxyoxane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat