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

CAS Registry Number®

77690-91-6

CAS Name

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

Molecular Formula

C39H42O19

Molecular Mass

814.74

Cite this Page

5-Hydroxy-6-[2-O-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77690-91-6 (retrieved 2024-11-23) (CAS RN: 77690-91-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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/t25-,26-,31-,32-,34+,35+,36-,37+,38-,39+/m1/s1

InChIKey

InChIKey=BFWPTYMTWQBGHH-NCAIGIGUSA-N

SMILES

O([C@H]1[C@@H](O[C@H](CO)[C@@H](O)[C@@H]1O)C2=C(OC)C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(O)C=C4)[C@@H]5O[C@H](COC(C=CC6=CC(OC)=C(O)C(OC)=C6)=O)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C(OCC1OC(OC2C(O)C(O)C(OC2C3=C(O)C=4C(=O)C=C(OC4C=C3OC)C=5C=CC(O)=CC5)CO)C(O)C(O)C1O)C=CC6=CC(OC)=C(O)C(OC)=C6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 5-hydroxy-6-[2-O-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-2-(4-hydroxyphenyl)-7-methoxy-
  • 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, 6′′-ester with 6-(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 5-hydroxy-6-[2-O-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-2-(4-hydroxyphenyl)-7-methoxy-
  • 5-Hydroxy-6-[2-O-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

Deleted or Replaced CAS Registry Numbers

84288-68-6

CAS INSIGHTSTM
Hourglass and a clock