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ChemicalBook--->CAS DataBase List--->30462-34-1

30462-34-1

30462-34-1 Structure

30462-34-1 Structure
IdentificationBack Directory
[Name]

THEAFLAVINE-3-GALLATE
[CAS]

30462-34-1
[Synonyms]

Theaflavin 2
Theaflavin 2A
Theaflavin gallate A
THEAFLAVINE-3-GALLATE
THEAFLAVINMONOGALLATES
THEAFLAVINMONOGALLATEA
THEAFLAVIN 3-O-GALLATE
Theaflavin monogallate
THEAFLAVIN3GALLATE(3-ISOMER)
THEAFLAVINE-3-GALLATE USP/EP/BP
3,4,6-Trihydroxy-1-[(2S,3S)-3,5,7-trihydroxychroman-2-yl]-8-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)chroman-2-yl]-5H-benzocyclohepten-5-one
[(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
3,4,5-Trihydroxybenzoic acid (2R,3R)-2-[1-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester
Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-[1-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester
Benzoic acid, 3,4,5-trihydroxy-, 2-(1-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-8-yl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-(2alpha(2R*,3R*),3alpha))-
[Molecular Formula]

C36H28O16
[MDL Number]

MFCD06798939
[MOL File]

30462-34-1.mol
[Molecular Weight]

716.6
Questions And AnswerBack Directory
[Description]

Theaflavin-3-gallate is a theaflavin derivative. It can be found in abundance in black tea and is produced during fermentation.It has been studied as a cancer-fighting chemical when combined with cisplatin against ovarian cancer cells.
[Formation]

Theaflavin-3-gallate is a crystalline solid.
Chemical PropertiesBack Directory
[Boiling point ]

1226.9±65.0 °C(Predicted)
[density ]

1.93
[storage temp. ]

-20°C
[solubility ]

Soluble in ethanol and methan
[form ]

powder
[pka]

6.65±0.20(Predicted)
[color ]

Orange-red
[LogP]

2.329 (est)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
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