7-O-Galloylcatechin

CAS Registry Number®

89702-01-2

CAS Name

7-O-Galloylcatechin

Molecular Formula

C22H18O10

Molecular Mass

442.37

Cite this Page

7-O-Galloylcatechin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89702-01-2 (retrieved 2024-11-08) (CAS RN: 89702-01-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H18O10/c23-13-2-1-9(3-15(13)25)21-18(28)8-12-14(24)6-11(7-19(12)32-21)31-22(30)10-4-16(26)20(29)17(27)5-10/h1-7,18,21,23-29H,8H2/t18-,21+/m0/s1

InChIKey

InChIKey=WKIHBIBUCQPPBY-GHTZIAJQSA-N

SMILES

OC1=C2C(O[C@@H]([C@@H](O)C2)C3=CC(O)=C(O)C=C3)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C1

Canonical SMILES

O=C(OC1=CC(O)=C2C(OC(C3=CC=C(O)C(O)=C3)C(O)C2)=C1)C4=CC(O)=C(O)C(O)=C4

Other Names for this Substance

  • Benzoic acid, 3,4,5-trihydroxy-, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5-dihydroxy-2H-1-benzopyran-7-yl ester
  • Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5-dihydroxy-2H-1-benzopyran-7-yl ester, (2R-trans)-
  • Catechol, gallate
  • 7-O-Galloylcatechin
  • Catechin 7-O-gallate

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles