4',5,7-Trihydroxyisoflavone 4’,5’-Diacetate 7’-Sulfate Pyridinium Salt

Analyte Name

4',5,7-Trihydroxyisoflavone 4’,5’-Diacetate 7’-Sulfate Pyridinium Salt

Molecular Formula

C24H19NO10S

Molecular Weight

513.47

Accurate Mass

513.07

SMILES

O=C1C(C2=CC=C(OC(C)=O)C=C2)=COC3=CC(OS([O-])(=O)=O)=CC(OC(C)=O)=C31.C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H14O10S.C5H5N/c1-10(20)27-13-5-3-12(4-6-13)15-9-26-16-7-14(29-30(23,24)25)8-17(28-11(2)21)18(16)19(15)22;1-2-4-6-5-3-1/h3-9H,1-2H3,(H,23,24,25);1-5H

IUPAC

pyridin-1-ium 5-acetoxy-3-(4-acetoxyphenyl)-4-oxo-4H-chromen-7-yl sulfate

Alternate CAS Number

Parent Compound: 23050-36-4

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat