Genistein Diglucuronide

Analyte Name

Genistein Diglucuronide

CAS Number

428438-35-1

Molecular Formula

C27H26O17

Molecular Weight

622.49

Accurate Mass

622.12

SMILES

O=C1C2=C(O)C=C(O[C@@H]([C@@H]3O)O[C@H](C(O)=O)[C@@H](O)[C@@H]3O)C=C2OC=C1C4=CC=C(O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O5)C=C4

InChI

InChI=1S/C27H26O17/c28-12-5-10(42-27-21(35)17(31)19(33)23(44-27)25(38)39)6-13-14(12)15(29)11(7-40-13)8-1-3-9(4-2-8)41-26-20(34)16(30)18(32)22(43-26)24(36)37/h1-7,16-23,26-28,30-35H,(H,36,37)(H,38,39)/t16-,17+,18-,19+,20+,21-,22-,23+,26+,27-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-(4-(7-(((2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-4-oxo-4H-chromen-3-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat