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5127-64-0

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5127-64-0 Structure

5127-64-0 Structure
IdentificationBack Directory
[Name]

(-)-GALLOCATECHIN-3-GALLATE
[CAS]

5127-64-0
[Synonyms]

(+)-Gallocatechin gallate
(-)-GALLOCATECHIN-3-GALLATE
(-)-GALLOCATECHIN-3-GALLATE
Benzoic acid, 3,4,5-trihydroxy-, (2R,3S)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester
[Molecular Formula]

C22H18O11
[MDL Number]

MFCD09752802
[MOL File]

5127-64-0.mol
[Molecular Weight]

458.37
Chemical PropertiesBack Directory
[Melting point ]

248-249 °C
[Boiling point ]

909.1±65.0 °C(Predicted)
[density ]

1.90±0.1 g/cm3(Predicted)
[pka]

7.75±0.25(Predicted)
Hazard InformationBack Directory
[Uses]

(+)-Gallocatechin Gallate-13C3 is the isotope labelled analog of (+)-Gallocatechin Gallate (G188980); a polyphenol compound found in green tea with anticancer activities.
[Definition]

ChEBI: (+)-gallocatechin gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-gallocatechin. It has a role as 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.
Spectrum DetailBack Directory
[Spectrum Detail]

(-)-GALLOCATECHIN-3-GALLATE(5127-64-0)1HNMR
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