(-)-Epigallocatechin Gallate-d3/d4

Analyte Name

(-)-Epigallocatechin Gallate-d3

Molecular Formula

C22 D3 H15 O11

Molecular Weight

461.39

Accurate Mass

461.1037

SMILES

[2H]c1c(O)c(O)c(O)cc1[C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c4c([2H])c(O)c(O)c(O)c4[2H]

InChI

InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1/i1D,3D,4D

IUPAC

[(2R,3R)-2-(2-deuterio-3,4,5-trihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl] 2,6-dideuterio-3,4,5-trihydroxy-benzoate

Unlabelled CAS Number

989-51-5

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat