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Basic information
- CAS
4233-96-9- Standard SMILES
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1- InChIKey
WMBWREPUVVBILR-NQIIRXRSSA-N- Molecular formula
- C22H18O11
- Average molar mass
- 458.375 g/mol
- Monoisotopic mass
- 458.0849114
Names & identifiers
- Preferred name
- (-)-Gallocatechol gallate
- IUPAC
- (2S,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
- English name
- (-)-Gallocatechin gallate
- Molecular formula
- C22H18O11
- Molecular weight
- 458.37
Names & synonyms
GALLOCATECHIN GALLATE(-)-Gallocatechin 3-O-gallate-GCG(-)-GCGNVP-XAA225Gallocatechin gallatGallatechin gallate GCG(-)-gallocatecholgallateGCG，Gallocatechingallate(-)-GALLOCATECHIN GALLATE
Database identifiers
- CAS
4233-96-9、68-22-4- PubChem CID
- 199472
- DTXSID
DTXSID20195144- ChEBI
CHEBI:156271- UNII
- IRW3C4Y31Q
- EC Number
- 636-979-1
- Nikkaji
- J277.683I
Properties
Physicochemical properties
- Melting point
- 179 oC · >179oC (dec.)
- Boiling point
- 909.1 · 909.1±65.0 °C(Predicted)
- Density
- 1.9 · 1.90±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 7.75 · 7.75±0.25(Predicted)
- form
- Solid
- color
- Off-White to Pale Brown
- biological source
- green tea
- Major Application
- metabolomicsvitamins, nutraceuticals, and natural products
- InChI
- 1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
- InChIKey
- WMBWREPUVVBILR-NQIIRXRSSA-N
- SMILES
- Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c4cc(O)c(O)c(O)c4
- LogP
- 2.08 · 2.080 (est)
- CAS DataBase Reference
- 4233 · 4233-96-9(CAS DataBase Reference)
- FDA UNII
- 3 C4Y31Q · IRW3C4Y31Q
- UNSPSC Code
- 85151701 · 85151701
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- DH9000000
- hs_code
- 29329990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-26/36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses(-)-Gallocatechin Gallate is a catechins found in green tea that has shown to suppress the activity of cytochrome P 450 1A1.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
Related reactions
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Compound notes
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