(-)-Epicatechin-3′-O-glucuronide

CAS Registry Number®

603133-91-1

CAS Name

(-)-Epicatechin-3′-O-glucuronide

Molecular Formula

C21H22O12

Molecular Mass

466.39

Cite this Page

(-)-Epicatechin-3′-O-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=603133-91-1 (retrieved 2025-04-02) (CAS RN: 603133-91-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15+,16+,17-,18-,19+,21-/m1/s1

InChIKey

InChIKey=BUONZQIZWIITTB-CVPXIJHMSA-N

SMILES

O[C@H]1[C@H](OC=2C(C1)=C(O)C=C(O)C2)C3=CC(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)=C(O)C=C3

Canonical SMILES

O=C(O)C1OC(OC2=CC(=CC=C2O)C3OC=4C=C(O)C=C(O)C4CC3O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 5-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-2-hydroxyphenyl
  • 5-[(2R,3R)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-2-hydroxyphenyl β-D-glucopyranosiduronic acid
  • (-)-Epicatechin 3′-glucuronide
  • (-)-Epicatechin-3′-O-glucuronide
  • (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-hydroxy-5-[(2R,3R)-3,5,7-trihydroxychroman-2-yl]phenoxy]tetrahydro-2H-pyran-2-carboxylic acid

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