Products 220089-07-6

CAS 220089-07-6 is the registry number for Procyanidin B3 3'-gallate . Offered by: TRC. Available pack sizes: 25mg.

Procyanidin B3 3'-gallate
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Procyanidin B3 3'-O-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3'S)-hydroxy group of procyanidin B3. It has a role as a metabolite. It is a polyphenol, a proanthocyanidin, a gallate ester and a biflavonoid. It is functionally related to a gallic acid and a procyanidin B3.

Source: ChEBI

Identity
Molecular formulaC37H30O16
Molecular weight730.6 g/mol
IUPAC name[(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
InChIKeyVLFKNLZNDSEVBZ-LBSACNJESA-N
SMILESC1[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

Computed by PubChem (NCBI)

Synonyms: procyanidin B3 3'-O-gallate, Procyanidin B3 3'-gallate, (+)-catechin-(4alpha->8)-(+)-catechin-3'-O-gallate
Related forms of this compound
[(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-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 C37H30O16