3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-[4-ethyl-2-(beta-D-glucopyranosyloxy)-6-hydroxyphenyl]-1-propanone

Analyte Name

3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-[4-ethyl-2-(beta-D-glucopyranosyloxy)-6-hydroxyphenyl]-1-propanone

CAS Number

794564-44-6

Molecular Formula

C25 H30 O10

Molecular Weight

490.5

Accurate Mass

490.184

SMILES

CCc1cc(O)c(C(=O)CCc2ccc3OCCOc3c2)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c1

InChI

InChI=1S/C25H30O10/c1-2-13-9-16(28)21(15(27)5-3-14-4-6-17-18(11-14)33-8-7-32-17)19(10-13)34-25-24(31)23(30)22(29)20(12-26)35-25/h4,6,9-11,20,22-26,28-31H,2-3,5,7-8,12H2,1H3/t20-,22-,23+,24-,25-/m1/s1

IUPAC

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-ethyl-2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat