3-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-[[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4H-1-benzopyran-4-one

CAS Registry Number®

51795-36-9
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CAS Name

3-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-[[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4H-1-benzopyran-4-one

Molecular Formula

C30H26O13

Molecular Mass

594.52

Cite this Page

3-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-[[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-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=51795-36-9 (retrieved 2024-09-19) (CAS RN: 51795-36-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H26O13/c31-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(40-22(35)10-3-14-1-6-16(32)7-2-14)12-20(23)41-28(29)15-4-8-17(33)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/t21-,24-,26+,27-,30+/m1/s1

InChIKey

InChIKey=CAHLQXBTMALBQE-FIZCXTQCSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(OC(C=CC3=CC=C(O)C=C3)=O)C2)C4=CC=C(O)C=C4)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C(OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(OC2=C1)C=4C=CC(O)=CC4)C=CC5=CC=C(O)C=C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-[[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-
  • 4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-
  • 3-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-[[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4H-1-benzopyran-4-one
  • Kaempferol 7-p-coumaroyl-3-D-glucoside