Analyte Name

5-Hydroxy-6-[2-O-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

CAS Number

77690-91-6

Molecular Formula

C39 H42 O19

Molecular Weight

814.739

Accurate Mass

814.232

SMILES

COc1cc(\C=C\C(=O)OC[C@@H]2O[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]3c4c(O)c5C(=O)C=C(Oc5cc4OC)c6ccc(O)cc6)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O

InChI

InChI=1S/C39H42O19/c1-51-21-13-22-28(19(42)12-20(55-22)17-5-7-18(41)8-6-17)33(47)29(21)37-38(35(49)31(45)25(14-40)56-37)58-39-36(50)34(48)32(46)26(57-39)15-54-27(43)9-4-16-10-23(52-2)30(44)24(11-16)53-3/h4-13,25-26,31-32,34-41,44-50H,14-15H2,1-3H3/b9-4+/t25-,26-,31+,32+,34-,35-,36+,37+,38+,39+/m0/s1

IUPAC

[(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat