Products 86631-41-6
CAS 86631-41-6 is the registry number for Procyanidin B3-3-O-gallate. Offered by: MedChemExpress. Available pack sizes: Get quote.
Procyanidin B3 3-O-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-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
| Molecular formula | C37H30O16 |
|---|---|
| Molecular weight | 730.6 g/mol |
| IUPAC name | [(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| InChIKey | BXWABJPTCUDBMM-UDGCLMCYSA-N |
| 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)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)O |
Computed by PubChem (NCBI)