Theaflavin-3'-Gallate - ALL Chemistry-Professional and Leading Custom Chemical Supplier

Theaflavin-3'-Gallate

IUPAC Name
[(2S,3S)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

Synonyms
[(2S,3R)-5,7-dihydroxy-2-[6,8,9-trihydroxy-5-oxo-3-[(2S,3R)-3,5,7-trihydroxychroman-2-yl]-11-bicyclo[5.4.0]undeca-1,3,6,8,10-pentaenyl]chroman-3-yl]3,4,5-trihydroxybenzoate; THEAFLAVIN3GALLatE(3'-ISOMERICFORM); THEAFLAVINMONOGALLatEB; 3,4,5-Trihydroxybenzoicacid(2R,3R)-2-[8-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-1-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-ylester; Theaflavin2B; Theaflavin-3'-Gallate(TF-3'-G); 3'-O-(3,4,5-Trihydroxybenzoyl)

Description
Theaflavin-3-gallate is one of the main monomers of theaflavins in black tea and one of the main indexes of color and flavor of black tea soup. Existing literature shows that theaflavins have a variety of pharmacological and health care functions, such as lipid-lowering, anti-oxidation, anti-aging and so on, and some functions are even better than catechins. In recent years, the function of theaflavin-3-gallate has gradually attracted great attention, but the purification of theaflavin-3-gallate is more difficult, especially the separation and purification of theaflavin-3-gallate monomer components are rarely reported. Polyphenol oxidase (PPO), also known as catechin oxidase, exists widely in the tissues of plants (such as litchi) and has a strong ability to catalyze the synthesis of catechin into theafraxin.

SMILES
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4[C@H]5[C@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)C(=O)C(=C3)O)O

InChI
InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)34(50-27(18)7-14)12-1-16-17(9-25(44)33(48)30(16)32(47)24(43)2-12)35-29(11-19-21(40)6-15(38)8-28(19)51-35)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29+,34-,35+/m1/s1

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