4H-1-Benzopyran-4-one, 3-[[3,6-di-O-acetyl-2,4-bis-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (E,E)-

CAS Registry Number®

94474-72-3
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CAS Name

4H-1-Benzopyran-4-one, 3-[[3,6-di-O-acetyl-2,4-bis-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (E,E)-

Molecular Formula

C43H36O17

Molecular Mass

824.74

Cite this Page

4H-1-Benzopyran-4-one, 3-[[3,6-di-O-acetyl-2,4-bis-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (E,E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94474-72-3 (retrieved 2024-09-19) (CAS RN: 94474-72-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H36O17/c1-22(44)54-21-33-39(58-34(51)17-7-24-3-11-27(46)12-4-24)41(55-23(2)45)42(59-35(52)18-8-25-5-13-28(47)14-6-25)43(57-33)60-40-37(53)36-31(50)19-30(49)20-32(36)56-38(40)26-9-15-29(48)16-10-26/h3-20,33,39,41-43,46-50H,21H2,1-2H3

InChIKey

InChIKey=CVBQXRRJAJMJSI-UHFFFAOYSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC=C(O)C=C3)C4C(OC(C=CC5=CC=C(O)C=C5)=O)C(OC(C)=O)C(OC(C=CC6=CC=C(O)C=C6)=O)C(COC(C)=O)O4

Canonical SMILES

O=C(OC1C(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=CC4)OC(COC(=O)C)C(OC(=O)C=CC5=CC=C(O)C=C5)C1OC(=O)C)C=CC6=CC=C(O)C=C6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[[3,6-di-O-acetyl-2,4-bis-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (E,E)-
  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2′,4′-diester with 3-[(3,6-di-O-acetyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, (E,E)-