5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid

CAS Registry Number®

380468-51-9
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CAS Name

5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid

Molecular Formula

C29H30O19

Molecular Mass

682.54

Cite this Page

5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83097-44-3 (retrieved 2024-09-19) (CAS RN: 380468-51-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H30O19/c1-42-14-3-8(4-15(43-2)17(14)32)12-7-11(31)16-10(30)5-9(6-13(16)45-12)44-29-25(21(36)20(35)24(47-29)27(40)41)48-28-22(37)18(33)19(34)23(46-28)26(38)39/h3-7,18-25,28-30,32-37H,1-2H3,(H,38,39)(H,40,41)/t18-,19-,20-,21-,22+,23-,24-,25+,28-,29+/m0/s1

InChIKey

InChIKey=RDNMWJOGZVGRGW-FLTOQTNJSA-N

SMILES

O=C1C=2C(OC(=C1)C3=CC(OC)=C(O)C(OC)=C3)=CC(O[C@H]4[C@H](O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)=CC2O

Canonical SMILES

O=C(O)C1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C=5C=C(OC)C(O)=C(OC)C5)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-β-D-glucopyranuronosyl-
  • 5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid
  • Tricin 7-diglucuronide

Deleted or Replaced CAS Registry Numbers

83097-44-3, 1245177-65-4, 1316307-70-6