Chemical Compound

procyanidin B3 3'-O-gallate

CAS Registry Number 220089-07-6
procyanidin B3 3'-O-gallate chemical structure
Primary Record

procyanidin B3 3'-O-gallate

In stock
1,514 g
Purity
99.1 %
CAS
220089-07-6

Compound Identifiers & Properties

CAS
220089-07-6
PubChem CID
11686333
SMILES
C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O
Canonical SMILES
O=C(O[C@H]1Cc2c(O)cc(O)c([C@@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@H]3O)c2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1

Names & Synonyms

  • procyanidin B3 3'-O-gallate
  • RefChem:176134
  • GlyTouCan:G81826ZP
  • Procyanidin B3 3'-gallate
  • CHEBI:75662
  • Procyanidin B3 3 -gallate
  • CHEMBL2414344
  • G81826ZP
  • CID11686333
  • CID 10101461
  • J2.262.933F
  • Q27145456
  • (+)-catechin-(4alpha->8)-(+)-catechin-3'-O-gallate
  • ((2R,3S)-2-(3,4-dihydroxyphenyl)-8-((2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl) 3,4,5-trihydroxybenzoate
  • (2R,2 R)-2,2 -Bis(3,4-dihydroxyphenyl)-3 beta-(galloyloxy)-4alpha,8 -bichroman-3beta,5,5 ,7,7 -pentaol
  • (2R,2 R)-2alpha,2 alpha-Bis(3,4-dihydroxyphenyl)-4alpha,8 -bichroman-3beta,3 beta,5,5 ,7,7 -hexaol 3 -(3,4,5-trihydroxybenzoate)
  • (2R,2'R,3S,3'S,4S)-2,2'-bis(3,4-dihydroxyphenyl)-3,5,5',7,7'-pentahydroxy-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromen-3'-yl 3,4,5-trihydroxybenzoate
  • (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
  • [(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
  • 220089-07-6