(+)-Catechin 3-gallate

CAS Registry Number®

25615-05-8

CAS Name

(+)-Catechin 3-gallate

Molecular Formula

C22H18O10

Molecular Mass

442.37

Cite this Page

(+)-Catechin 3-gallate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25615-05-8 (retrieved 2024-11-22) (CAS RN: 25615-05-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m0/s1

InChIKey

InChIKey=LSHVYAFMTMFKBA-PZJWPPBQSA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H]2[C@H](OC=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4

Canonical SMILES

O=C(OC1CC=2C(O)=CC(O)=CC2OC1C3=CC=C(O)C(O)=C3)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-5,7-dihydroxy-2H-1-benzopyran-3-yl ester
  • Catechol, 3-gallate, (+)-
  • Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-trans)-
  • Gallic acid, 3-ester with catechol, (+)-
  • (+)-Catechin 3-gallate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration