Analyte Name

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

CAS Number

1112383-46-6

Molecular Formula

C23 H22 O11

Molecular Weight

474.414

Accurate Mass

474.116

SMILES

CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)cc3OC(=O)C=C(c4ccc(O)cc4)c23)[C@H](O)[C@@H](O)[C@H]1O

InChI

InChI=1S/C23H22O11/c1-10(24)31-9-17-20(28)21(29)22(30)23(34-17)33-16-7-13(26)6-15-19(16)14(8-18(27)32-15)11-2-4-12(25)5-3-11/h2-8,17,20-23,25-26,28-30H,9H2,1H3/t17-,20+,21+,22-,23-/m1/s1

IUPAC

[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-4-(4-hydroxyphenyl)-2-oxochromen-5-yl]oxyoxan-2-yl]methyl acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat