Analyte Name

Methoxyfenozide metabolite 1

CAS Number

512165-94-5

Molecular Formula

C30 H38 N2 O11

Molecular Weight

602.63

Accurate Mass

602.248

SMILES

Cc1cc(C)cc(c1)C(=O)N(NC(=O)c2cccc(O[C@@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2C)C(C)(C)C

InChI

InChI=1S/C30H38N2O11/c1-15-10-16(2)12-18(11-15)28(40)32(30(4,5)6)31-27(39)19-8-7-9-20(17(19)3)42-29-26(38)25(37)24(36)21(43-29)14-41-23(35)13-22(33)34/h7-12,21,24-26,29,36-38H,13-14H2,1-6H3,(H,31,39)(H,33,34)/t21-,24-,25+,26-,29-/m1/s1

IUPAC

3-[[(2R,3S,4S,5R,6S)-6-[3-[[tert-butyl-(3,5-dimethylbenzoyl)amino]carbamoyl]-2-methylphenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat