Analyte Name

Methoxyfenozide metabolite 3

CAS Number

512165-92-3

Molecular Formula

C27 H34 N2 O9

Molecular Weight

530.567

Accurate Mass

530.226

SMILES

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

InChI

InChI=1S/C27H34N2O9/c1-13-10-14(2)12-16(11-13)24(34)29(27(4,5)6)28-23(33)17-8-7-9-18(15(17)3)37-26-21(32)19(30)20(31)22(38-26)25(35)36/h7-12,19-22,26,30-32H,1-6H3,(H,28,33)(H,35,36)/t19-,20-,21+,22-,26+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[3-[[tert-butyl-(3,5-dimethylbenzoyl)amino]carbamoyl]-2-methylphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat