7-[[2-O-[3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-5,6-dimethoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one

CAS Registry Number®

158591-66-3
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CAS Name

7-[[2-O-[3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-5,6-dimethoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one

Molecular Formula

C34H32O15

Molecular Mass

680.61

Cite this Page

7-[[2-O-[3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-5,6-dimethoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-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=158591-66-3 (retrieved 2024-09-20) (CAS RN: 158591-66-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H32O15/c1-41-20-11-22-21(45-15-46-22)10-18(20)19-14-44-23-12-24(31(42-2)32(43-3)27(23)28(19)38)47-34-33(30(40)29(39)25(13-35)48-34)49-26(37)9-6-16-4-7-17(36)8-5-16/h4-12,14,25,29-30,33-36,39-40H,13,15H2,1-3H3/t25-,29-,30+,33-,34-/m1/s1

InChIKey

InChIKey=MRZUIFKFQDDCQC-GPILSCSGSA-N

SMILES

O(C)C1=C2C(=CC(O[C@H]3[C@H](OC(C=CC4=CC=C(O)C=C4)=O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C1OC)OC=C(C2=O)C5=C(OC)C=C6C(=C5)OCO6

Canonical SMILES

O=C(OC1C(OC2=CC=3OC=C(C(=O)C3C(OC)=C2OC)C=4C=C5OCOC5=CC4OC)OC(CO)C(O)C1O)C=CC6=CC=C(O)C=C6

Other Names for this Substance

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