ChemicalBook--->CAS DataBase List--->4233-96-9

4233-96-9

4233-96-9 Structure

4233-96-9 Structure
IdentificationMore
[Name]

(-)-Gallocatechin gallate
[CAS]

4233-96-9
[Synonyms]

[2S,3R]-2-[3,4,5-TRIHYDROXYPHENYL]-3,4-DIHYDRO-1[2H]-BENZOPYRAN-3,5,7-TRIOL 3-[3,4,5-TRIHYDROXYBENZOATE
(-)-GALLOCATECHIN GALLATE
GALLOCATECHIN GALLATE
GALLOCATECHIN GALLATE, (-)-
(-)-GCG
(-)-gallocatecholgallate
(2s-trans)-henyl)-2h-1-benzopyran-3-yleste
benzoicacid,3,4,5-trihydroxy-,3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyp
(−
)-Gallocatechin gallate
(2S,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-(3,4,5-trihydroxybenzoate)
(-)-gallocatechin gallate from green tea
Gallocatechin gallate (-GCG)
(-)-Gallocatechin gallate
GCG,Gallocatechingallate
(2R)-2,3-Dihydro-2α-(3,4,5-trihydroxyphenyl)-3β-(galloyloxy)-4H-1-benzopyran-5,7-diol
3,4,5-Trihydroxybenzoic acid [[(2R)-3,4-dihydro-5,7-dihydroxy-2α-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran]-3β-yl] ester
(2S)-2-(3,4,5-Trihydroxyphenyl)-3α-(galloyloxy)-5,7-dihydroxychroman
(2S)-3,4-Dihydro-2β-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3α,5,7-triol 3-(3,4,5-trihydroxybenzoate)
(2S,3R)-2-(3,4,5-Trihydroxyphenyl)-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-5,7-diol
3,4,5-Trihydroxybenzoic acid (2S,3R)-2-(3,4,5-trihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl ester
[EINECS(EC#)]

636-979-1
[Molecular Formula]

C22H18O11
[MDL Number]

MFCD00214298
[Molecular Weight]

458.37
[MOL File]

4233-96-9.mol
Chemical PropertiesBack Directory
[Melting point ]

>179oC (dec.)
[Boiling point ]

909.1±65.0 °C(Predicted)
[density ]

1.90±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

7.75±0.25(Predicted)
[color ]

Off-White to Pale Brown
[LogP]

2.080 (est)
[CAS DataBase Reference]

4233-96-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

DH9000000
[HS Code ]

29329990
Hazard InformationBack Directory
[Uses]

(-)-Gallocatechin Gallate is a catechins found in green tea that has shown to suppress the activity of cytochrome P 450 1A1.
[Definition]

ChEBI: (-)-gallocatechin gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-gallocatechin. A natural product found in found in green tea. It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, a human xenobiotic metabolite, an antineoplastic agent and a plant metabolite. It is a gallate ester, a polyphenol and a catechin. It is functionally related to a (-)-gallocatechin and a gallic acid. It is an enantiomer of a (+)-gallocatechin gallate.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

4233-96-9(sigmaaldrich)
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