Ibuprofen O-Benzyloxy-acyl-beta-D-glucuronide

Analyte Name

Ibuprofen O-Benzyloxy-acyl-beta-D-glucuronide

Molecular Formula

C26 H32 O8

Molecular Weight

472.527

Accurate Mass

472.21

SMILES

CC(C)Cc1ccc(cc1)C(C)C(=O)OC2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(=O)OCc3ccccc3

InChI

InChI=1S/C26H32O8/c1-15(2)13-17-9-11-19(12-10-17)16(3)24(30)34-26-22(29)20(27)21(28)23(33-26)25(31)32-14-18-7-5-4-6-8-18/h4-12,15-16,20-23,26-29H,13-14H2,1-3H3/t16?,20-,21-,22+,23-,26?/m1/s1

IUPAC

benzyl (2R,3R,4R,5S)-3,4,5-trihydroxy-6-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]oxane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat