Analyte Name

Clofibric Acid-d4 Acyl-beta-D-glucuronide

Molecular Formula

C16 D4 H15 Cl O9

Molecular Weight

394.794

Accurate Mass

394.097

SMILES

[2H]c1c([2H])c(OC(C)(C)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)c([2H])c([2H])c1Cl

InChI

InChI=1S/C16H19ClO9/c1-16(2,26-8-5-3-7(17)4-6-8)15(23)25-14-11(20)9(18)10(19)12(24-14)13(21)22/h3-6,9-12,14,18-20H,1-2H3,(H,21,22)/t9-,10-,11+,12-,14-/m0/s1/i3D,4D,5D,6D

IUPAC

(2S,3S,4S,5R,6S)-6-[2-(4-chloro-2,3,5,6-tetradeuteriophenoxy)-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Unlabelled CAS Number

72072-47-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat