Analyte Name

(+)-Gallocatechin Gallate-13C3

Molecular Formula

13C3 C19 H18 O11

Molecular Weight

461.35

Accurate Mass

461.095

SMILES

Oc1cc(O)c2[13CH2][13C@H](OC(=O)c3cc(O)c(O)c(O)c3)[13C@H](Oc2c1)c4cc(O)c(O)c(O)c4

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+/m0/s1/i7+1,18+1,21+1

IUPAC

[(2R,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

Unlabelled CAS Number

5127-64-0

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat