5-[(6-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-4-(3,4-dihydroxyphenyl)-7-methoxy-2H-1-benzopyran-2-one

Analyte Name

5-[(6-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-4-(3,4-dihydroxyphenyl)-7-methoxy-2H-1-benzopyran-2-one

CAS Number

888013-48-7

Molecular Formula

C27 H30 O15

Molecular Weight

594.518

Accurate Mass

594.158

SMILES

COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c4C(=CC(=O)Oc4c1)c5ccc(O)c(O)c5

InChI

InChI=1S/C27H30O15/c1-37-12-5-16-20(13(7-19(31)40-16)11-2-3-14(29)15(30)4-11)17(6-12)41-25-23(34)22(33)21(32)18(42-25)8-38-26-24(35)27(36,9-28)10-39-26/h2-7,18,21-26,28-30,32-36H,8-10H2,1H3/t18-,21-,22+,23-,24+,25-,26-,27-/m1/s1

IUPAC

5-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-(3,4-dihydroxyphenyl)-7-methoxychromen-2-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat