Analyte Name

(S)-Equol 4'-Sulfate-d3 Sodium Salt

Molecular Formula

C15 D3 H10 Na O6 S

Molecular Weight

347.333

Accurate Mass

347.052

SMILES

[2H]c1c([2H])c2C[C@H](COc2c([2H])c1O)c3ccc(OS(=O)(=O)O[Na])cc3

InChI

InChI=1S/C15H14O6S.Na/c16-13-4-1-11-7-12(9-20-15(11)8-13)10-2-5-14(6-3-10)21-22(17,18)19;/h1-6,8,12,16H,7,9H2,(H,17,18,19);/q;+1/p-1/t12-;/m1./s1/i1D,4D,8D;

IUPAC

[4-[(3S)-5,6,8-trideuterio-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]phenoxy]sulfonyloxysodium

Unlabelled CAS Number

688025-52-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat