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Basic information
- CAS
28543-07-9- Standard SMILES
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c2c(O)c(=O)cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc12)c1cc(O)c(O)c(O)c1- InChIKey
GPLOTACQBREROW-WQLSNUALSA-N- Molecular formula
- C36H28O16
- Average molar mass
- 716.6 g/mol
Names & identifiers
- Preferred name
- THEAFLAVIN 3'-O-GALLATE
- English name
- THEAFLAVIN 3'-O-GALLATE
- Molecular formula
- C36H28O16
- Molecular weight
- 716.6
Names & synonyms
TF-3'-GTheaflavin-3’-gallateTheaflavin 2BTHEAFLAVINMONOGALLATEBTheaflavin-3''-GallateTHEAFLAVIN 3'-O-GALLATE3'-O-(3,4,5-Trihydroxybenzoyl)Theaflavin-3'-Gallate (TF-3'-G)THEAFLAVIN 3'-O-GALLATE USP/EP/BPTHEAFLAVIN3GALLATE(3'-ISOMERICFORM)
Database identifiers
- CAS
28543-07-9- PubChem CID
- 467321
- ChEMBL
CHEMBL423795
Properties
Physicochemical properties
- Boiling point
- 1226.9 · 1226.9±65.0 °C(Predicted)
- Density
- 1.93 · 1.93
- storage temp.
- -20 °C · -20°C
- solubility
- Soluble in ethanol and methan
- form
- powder
- pka
- 6.55 · 6.55±0.20(Predicted)
- color
- Orange-brown
- Major Application
- food and beverages
- InChIKey
- GPLOTACQBREROW-WQLSNUALSA-N
- SMILES
- C(O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=C2C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C=C(O)C(=O)C2=C(O)C(O)=C1)(=O)C1=CC(O)=C(O)C(O)=C1
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- HS Code
- 29182900 · 29182900
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 29182900
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesTheaflavin-3''-O-gallate is a theaflavin found in black tea that has shown to induce apoptosis through promoting mitochondrial dysfunction in human prostate cancer cells.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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