5-[(6-O-Acetyl-beta-D-galactopyranosyl)oxy]-4-(3,4-dihydroxyphenyl)-7-hydroxy-2H-1-benzopyran-2-one

Analyte Name

5-[(6-O-Acetyl-beta-D-galactopyranosyl)oxy]-4-(3,4-dihydroxyphenyl)-7-hydroxy-2H-1-benzopyran-2-one

CAS Number

1112383-48-8

Molecular Formula

C23 H22 O12

Molecular Weight

490.414

Accurate Mass

490.111

SMILES

CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)cc3OC(=O)C=C(c4ccc(O)c(O)c4)c23)[C@H](O)[C@@H](O)[C@H]1O

InChI

InChI=1S/C23H22O12/c1-9(24)32-8-17-20(29)21(30)22(31)23(35-17)34-16-6-11(25)5-15-19(16)12(7-18(28)33-15)10-2-3-13(26)14(27)4-10/h2-7,17,20-23,25-27,29-31H,8H2,1H3/t17-,20+,21+,22-,23-/m1/s1

IUPAC

[(2R,3R,4S,5R,6S)-6-[4-(3,4-dihydroxyphenyl)-7-hydroxy-2-oxochromen-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat