2-(3,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid

CAS Registry Number®

82657-12-3

CAS Name

2-(3,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid

Molecular Formula

C22H20O13

Molecular Mass

492.39

Cite this Page

2-(3,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82657-12-3 (retrieved 2024-11-14) (CAS RN: 82657-12-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H20O13/c1-32-19-13(34-22-18(29)16(27)17(28)20(35-22)21(30)31)6-12-14(15(19)26)10(25)5-11(33-12)7-2-3-8(23)9(24)4-7/h2-6,16-18,20,22-24,26-29H,1H3,(H,30,31)/t16-,17-,18+,20-,22+/m0/s1

InChIKey

InChIKey=UWBKEKWTUMGDCN-QSUZLTIMSA-N

SMILES

OC1=C2C(=CC(O[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O)=C1OC)OC(=CC2=O)C4=CC(O)=C(O)C=C4

Canonical SMILES

O=C(O)C1OC(OC2=CC=3OC(=CC(=O)C3C(O)=C2OC)C=4C=CC(O)=C(O)C4)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl
  • 2-(3,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid
  • Nepetin 7-glucuronide
  • Nepetin 7-O-glucuronide

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles