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Substance Name: Gallocatechin gallate
RN: 5127-64-0
UNII: 0C056HB16M
InChIKey: WMBWREPUVVBILR-GHTZIAJQSA-N

Molecular Formula

  • C22-H18-O11

Molecular Weight

  • 458.3732
 
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Names and Synonyms

Name of Substance

  • Gallocatechin gallate

Synonyms

  • (+)-Gallocatechin gallate
  • (+)-Gallocatechin-3-o-gallate
  • (+)-Gallocatechol gallate
  • Benzoic acid, 3,4,5-trihydroxy-, (2R,3S)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester
  • Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2R-trans)-
  • Gallic acid, ester with gallocatechol
  • Gallocatechin gallate
  • UNII-0C056HB16M

Registry Numbers

CAS Registry Number

  • 5127-64-0

FDA UNII

  • 0C056HB16M

System Generated Number

  • 0005127640

Structure Descriptors

InChI

1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m0/s1

InChIKey

WMBWREPUVVBILR-GHTZIAJQSA-N

Smiles

c1c(cc(c(c1O)O)O)[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O