Analyte Name

(S)-Hesperetin 3',7-Diglucuronide

CAS Number

1714994-96-3

Molecular Formula

C28H30O18

Molecular Weight

654.53

Accurate Mass

654.1432

SMILES

OC1=C(C(C[C@@H](C2=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O3)=C(OC)C=C2)O4)=O)C4=CC(O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)=C1

InChI

InChI=1S/C28H30O18/c1-41-12-3-2-8(4-14(12)44-28-22(36)18(32)20(34)24(46-28)26(39)40)13-7-11(30)16-10(29)5-9(6-15(16)43-13)42-27-21(35)17(31)19(33)23(45-27)25(37)38/h2-6,13,17-24,27-29,31-36H,7H2,1H3,(H,37,38)(H,39,40)/t13-,17-,18-,19-,20-,21+,22+,23-,24-,27+,28+/m0/s1

IUPAC

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

Country of Origin

CANADA

Product Format

Neat