Quercetin 3-O-(6′′-malonylglucoside)

CAS Registry Number®

96862-01-0

CAS Name

Quercetin 3-O-(6′′-malonylglucoside)

Molecular Formula

C24H22O15

Molecular Mass

550.42

Cite this Page

Quercetin 3-O-(6′′-malonylglucoside).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96862-01-0 (retrieved 2024-11-22) (CAS RN: 96862-01-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195-201 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1

InChIKey

InChIKey=NBQPHANHNTWDML-UJKBSQBPSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)[C@@H]4O[C@H](COC(CC(O)=O)=O)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C(O)CC(=O)OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=C(O)C4)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)-5,7-dihydroxy-
  • 4H-1-Benzopyran-4-one, 3-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
  • 3-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Quercetin 3-O-(6′′-malonylglucoside)
  • Quercetin 3-O-(6′′-O-malonyl)-β-D-glucoside

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Deleted or Replaced CAS Registry Numbers

387398-04-1

CAS INSIGHTSTM
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