Analyte Name

Methoxyfenozide metabolite 4

CAS Number

329014-99-5

Molecular Formula

C27 H36 N2 O8

Molecular Weight

516.583

Accurate Mass

516.247

SMILES

Cc1cc(C)cc(c1)C(=O)N(NC(=O)c2cccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C)C(C)(C)C

InChI

InChI=1S/C27H36N2O8/c1-14-10-15(2)12-17(11-14)25(35)29(27(4,5)6)28-24(34)18-8-7-9-19(16(18)3)36-26-23(33)22(32)21(31)20(13-30)37-26/h7-12,20-23,26,30-33H,13H2,1-6H3,(H,28,34)/t20-,21-,22+,23-,26?/m1/s1

IUPAC

N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzohydrazide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat