Analyte Name

rac-Hesperetin 3'-O-beta-D-Glucuronide 7-O-Sulfate Disodium Salt

Molecular Formula

C22 H20 Na2 O15 S

Molecular Weight

602.43

Accurate Mass

602.032

SMILES

COc1ccc(cc1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O[Na])[C@@H]3CC(=O)c4c(O)cc(OS(=O)(=O)O[Na])cc4O3

InChI

InChI=1S/C22H22O15S.2Na/c1-33-12-3-2-8(4-14(12)35-22-19(27)17(25)18(26)20(36-22)21(28)29)13-7-11(24)16-10(23)5-9(6-15(16)34-13)37-38(30,31)32;;/h2-6,13,17-20,22-23,25-27H,7H2,1H3,(H,28,29)(H,30,31,32);;/q;2*+1/p-2/t13-,17-,18-,19+,20-,22+;;/m0../s1

IUPAC

[(2S)-5-hydroxy-2-[4-methoxy-3-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-sodiooxycarbonyloxan-2-yl]oxyphenyl]-4-oxo-2,3-dihydrochromen-7-yl]oxysulfonyloxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat