Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
(-)-에피갈로카테킨3-(4”-O-메틸)갈레이트
(-)-에피갈로카테킨3-(4”-O-메틸)갈레이트 · (-)-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
식별자 및 물리적 특성
| CAS No. | 224434-07-5 |
|---|---|
| 분자식 | C23H20O11 |
| 평균 분자량 | 472.402 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | (-)-에피갈로카테킨3-(4”-O-메틸)갈레이트 |
화학 및 물리적 성질
| 녹는점 | 226-228 °C (decomp) |
|---|---|
| 끓는 점 | 879.0±65.0 °C(Predicted) |
| 밀도 | 1.77±0.1 g/cm3(Predicted) |
| pKa(산도 계수) | 8.55±0.15(Predicted) |