Analyte Name

N-Benzyl 1-Methylethyl-2-propyl-1H-imidazole-5-carboxylic Acid Ethyl Ester 2,3,4-Tri-O-acetyl-beta-D-glucuronide Methyl Ester

Molecular Formula

C32 H42 N2 O12

Molecular Weight

646.682

Accurate Mass

646.274

SMILES

CCCc1nc(c(C(=O)OCC)n1Cc2ccccc2)C(C)(C)O[C@@H]3O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)C(=O)OC

InChI

InChI=1S/C32H42N2O12/c1-9-14-22-33-28(23(29(38)41-10-2)34(22)17-21-15-12-11-13-16-21)32(6,7)46-31-27(44-20(5)37)25(43-19(4)36)24(42-18(3)35)26(45-31)30(39)40-8/h11-13,15-16,24-27,31H,9-10,14,17H2,1-8H3/t24-,25-,26-,27+,31-/m0/s1

IUPAC

ethyl 3-benzyl-2-propyl-5-[2-[(2S,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxycarbonyloxan-2-yl]oxypropan-2-yl]imidazole-4-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat