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Basic information
- CAS
224434-07-5- Standard 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- Molecular formula
- C23H20O11
- Average molar mass
- 472.402 g/mol
- Monoisotopic mass
- 472.10056146
Names & identifiers
- Preferred name
- Epigallocatechin-3-O-(4-O-methyl)gallate
- IUPAC
- (2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,5-dihydroxy-4-methoxybenzoate
- English name
- (-)-EPIGALLOCATECHIN 3-(4''-O-METHYL)GALLATE
- Molecular formula
- C23H20O11
- Molecular weight
- 472.4
Names & synonyms
(-)-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-methoxybenzoateBenzoic 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
Database identifiers
- CAS
224434-07-5- PubChem CID
- 401129
- DTXSID
DTXSID401274844- ChEMBL
CHEMBL559294- ChEBI
CHEBI:191669- UNII
- CUX41G3911
- Nikkaji
- J1.051.525D
Properties
Physicochemical properties
- Melting point
- 226 · 226-228 °C (decomp)
- Boiling point
- 879 · 879.0±65.0 °C(Predicted)
- Density
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- pka
- 8.55 · 8.55±0.15(Predicted)
- FDA UNII
- 41 G3911 · CUX41G3911
Chemistry & industry
Suppliers8 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
上海三线态生物医药科技有限公司18946021481 18946021481 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
合亚医药科技（武汉）有限公司15921826072 19071409695 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Additional notes
DefinitionChEBI: (-)-Epigallocatechin 3-(4-methyl-gallate) is a catechin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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