3-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one

CAS Registry Number®

194093-39-5

CAS Name

3-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one

Molecular Formula

C30H32O20

Molecular Mass

712.56

Cite this Page

3-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-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=194093-39-5 (retrieved 2024-11-25) (CAS RN: 194093-39-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H32O20/c31-7-15-20(38)23(41)25(43)29(48-15)46-10-4-13(34)19-14(5-10)47-27(9-1-2-11(32)12(33)3-9)28(22(19)40)50-30-26(44)24(42)21(39)16(49-30)8-45-18(37)6-17(35)36/h1-5,15-16,20-21,23-26,29-34,38-39,41-44H,6-8H2,(H,35,36)/t15-,16-,20-,21-,23+,24+,25-,26-,29-,30+/m1/s1

InChIKey

InChIKey=ZLQYEKDHCDLAGO-DDGSWIOPSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2)C4=CC(O)=C(O)C=C4)[C@@H]5O[C@H](COC(CC(O)=O)=O)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C(O)CC(=O)OCC1OC(OC=2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C=5C=CC(O)=C(O)C5)C(O)C(O)C1O

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[[6-O-(2-carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-
  • 4H-1-Benzopyran-4-one, 3-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-
  • 3-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
  • Quercetin-3-O-6′′-O-malonyl)-glucoside-7-O-glucoside

CAS INSIGHTSTM
Hourglass and a clock