Quercetin 4′-glucuronide

CAS Registry Number®

201463-36-7
No image available.

CAS Name

Quercetin 4′-glucuronide

Molecular Formula

C21H18O13

Molecular Mass

478.36

Cite this Page

Quercetin 4′-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=201463-36-7 (retrieved 2024-07-12) (CAS RN: 201463-36-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-10(8(23)3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1

InChIKey

InChIKey=OUQZCILJSVDJFB-JENRNSKYSA-N

SMILES

O=C1C=2C(OC(=C1O)C3=CC(O)=C(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)C=C3)=CC(O)=CC2O

Canonical SMILES

O=C(O)C1OC(OC=2C=CC(=CC2O)C=3OC=4C=C(O)C=C(O)C4C(=O)C3O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl
  • 2-Hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl β-D-glucopyranosiduronic acid
  • Quercetin 4′-O-β-D-glucuronide
  • Quercetin 4′-glucuronide
  • Quercetin 4′-O-β-glucuronide