β-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl, methyl ester

CAS Registry Number®

82657-11-2

CAS Name

β-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl, methyl ester

Molecular Formula

C23H22O13

Molecular Mass

506.41

Cite this Page

β-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82657-11-2 (retrieved 2025-03-12) (CAS RN: 82657-11-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H22O13/c1-32-20-14(35-23-19(30)17(28)18(29)21(36-23)22(31)33-2)7-13-15(16(20)27)11(26)6-12(34-13)8-3-4-9(24)10(25)5-8/h3-7,17-19,21,23-25,27-30H,1-2H3/t17-,18-,19+,21-,23+/m0/s1

InChIKey

InChIKey=VSXQXYNBFPOEGX-VLXBDIDVSA-N

SMILES

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

Canonical SMILES

O=C1C=C(OC=2C=C(OC3OC(C(=O)OC)C(O)C(O)C3O)C(OC)=C(O)C12)C=4C=CC(O)=C(O)C4

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl, methyl ester