Monooctyl Phthalate (phenyl-d4) beta-D-Glucuronide

Analyte Name

Monooctyl Phthalate (phenyl-d4) beta-D-Glucuronide

Molecular Formula

C22 D4 H26 O10

Molecular Weight

458.492

Accurate Mass

458.209

SMILES

[2H]c1c([2H])c([2H])c(C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)c(C(=O)OCCCCCCCC)c1[2H]

InChI

InChI=1S/C22H30O10/c1-2-3-4-5-6-9-12-30-20(28)13-10-7-8-11-14(13)21(29)32-22-17(25)15(23)16(24)18(31-22)19(26)27/h7-8,10-11,15-18,22-25H,2-6,9,12H2,1H3,(H,26,27)/t15-,16-,17+,18-,22-/m0/s1/i7D,8D,10D,11D

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2,3,4,5-tetradeuterio-6-octoxycarbonylbenzoyl)oxyoxane-2-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat