HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Epigallocatechin-3-O-(4-O-methyl)gallate
(-)-Gallocatechin 3-(4'-O-methyl)gallate · (-)-Epigallocatechin 3-(4"-O-methyl)gallate · (-)-EPIGALLOCATECHIN 3-(4''-O-METHYL)GALLATE · (-)-Epigallocatechin 3-(4''-O-Methyl)gallate 〔(-)-EGCg-4''-O-Me〕 · [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2~{H}-chromen-3-yl] 3,5-dihydroxy-4-methoxybenzoate · Benzoic acid, 3,5-dihydroxy-4-methoxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester
Identifikatoren & physikalische Daten
| CAS No. | 224434-07-5 |
|---|---|
| Summenformel | C23H20O11 |
| Durchschnittliche Molmasse | 472,402 g/mol |
| Monoisotopische Masse | 472,10056146 g/mol |
| SMILES | COc1c(O)cc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)cc1O |
| InChIKey | BMJHAAZDURGGSC-TZIWHRDSSA-N |
| PubChem CID | 401129 |
| ChEMBL | CHEMBL559294 |
| ChEBI | CHEBI:191669 |
| DTXSID | DTXSID401274844 |
Chemische & physikalische Eigenschaften
| Schmelzpunkt | 226-228 °C (decomp) |
|---|---|
| Siedepunkt | 879.0±65.0 °C(Predicted) |
| Dichte | 1.77±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | 8.55±0.15(Predicted) |