Catechin 7-O-gallate
[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate
Also Known As: Catechin 7-O-gallate|7-o-galloylcatechin|(+)-Catechin-7-gallate|(+)-Catechin-7-O-gallate|J1.664.826D|(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate|(2R,3S)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol 7-(3,4,5-trihydroxybenzoate)|[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-chroman-7-yl] 3,4,5-trihydroxybenzoate|7-(Galloyloxy)-3,4-dihydro-2alpha-(3,4-dihydroxyphenyl)-2H-1-benzopyran-3beta,5-diol|((2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl) 3,4,5-trihydroxybenzoate|(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2h-chromen-7-yl 3,4,5-trihydroxybenzoate|[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate|3,4,5-Trihydroxy-benzoic acid (2R,3S)-2-(3,4-dihydroxy-phenyl)-3,5-dihydroxy-1-benzopyran-7-yl ester
| Molecular Formula | C22H18O10 |
|---|---|
| Molecular Weight | 442.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.09 |
| Monoisotopic Mass | 442.09 |
| Heavy Atoms | 32 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 89702-01-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)C4=CC(=C(C=C4)O)O)O |
| InChIKey | WKIHBIBUCQPPBY-GHTZIAJQSA-N |
Product Overview
Catechin 7-O-gallate (CAS 89702-01-2), with molecular formula C22H18O10 and molecular weight 442.09 g/mol. IUPAC: [(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate.
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