Epigallocatechin 3,4',-di-O-gallate
[(2R,3R)-2-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: Flavan-3-ol|3,4'-di-O-gallate|Epigallocatechin 3,4',-di-O-gallate|Epigallocatechin 3,4'-di-gallate|3,4'-Di-O-galloylepigallocatechin|Epigallocatechin 3,4'-di-O-gallate|(-)-Epigallocatechin 3,4'-di-gallate|(-)-Epigallocatechin 3,4'-di-O-gallate|[(2R,3R)-2-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate|[4-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-chroman-2-yl]-2,6-dihydroxy-phenyl] 3,4,5-trihydroxybenzoate|2-(3,5-dihydroxy-4-(3,4,5-trihydroxyphenylcarbonyloxy)phenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate|4-{(2r,3r)-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2h-chromen-2-yl}-2,6-dihydroxyphenyl 3,4,5-trihydroxybenzoate|Benzoic acid, 3,4,5-trihydroxy-, 4-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-2,6-dihydroxyphenyl ester
| Molecular Formula | C29H22O15 |
|---|---|
| Molecular Weight | 610.0959 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 264.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 610.0959 |
| Monoisotopic Mass | 610.0959 |
| Heavy Atoms | 44 |
| Complexity | 977.0 |
Chemical Identifiers
| CAS Number | 89013-67-2 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O |
| InChIKey | LPOACLRSLAMIRP-ZEQKJWHPSA-N |
Product Overview
Epigallocatechin 3,4',-di-O-gallate (CAS 89013-67-2), with molecular formula C29H22O15 and molecular weight 610.0959 g/mol. IUPAC: [(2R,3R)-2-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.