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

Analyte Name

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

Molecular Formula

C25 H36 N2 O12

Molecular Weight

556.559

Accurate Mass

556.227

SMILES

CCCc1nc(c([nH]1)C(=O)OCC)C(C)(C)O[C@@H]2O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)C(=O)OC

InChI

InChI=1S/C25H36N2O12/c1-9-11-15-26-16(22(31)34-10-2)21(27-15)25(6,7)39-24-20(37-14(5)30)18(36-13(4)29)17(35-12(3)28)19(38-24)23(32)33-8/h17-20,24H,9-11H2,1-8H3,(H,26,27)/t17-,18-,19-,20+,24-/m0/s1

IUPAC

ethyl 2-propyl-4-[2-[(2S,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxycarbonyloxan-2-yl]oxypropan-2-yl]-1H-imidazole-5-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat