Analyte Name

rac-Hesperetin-d3 3'-O-beta-D-Glucuronide

Molecular Formula

C22 D3 H19 O12

Molecular Weight

481.421

Accurate Mass

481.13

SMILES

[2H]C([2H])([2H])Oc1ccc(cc1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)C3CC(=O)c4c(O)cc(O)cc4O3

InChI

InChI=1S/C22H22O12/c1-31-12-3-2-8(13-7-11(25)16-10(24)5-9(23)6-15(16)32-13)4-14(12)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30)/t13?,17-,18-,19+,20-,22+/m0/s1/i1D3

IUPAC

(2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-(trideuteriomethoxy)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Unlabelled CAS Number

150985-66-3forS

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive small molecule; Stable Isotope Labelled

Product Format

Neat