Theaflavin-3-gallate

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Theaflavin-3-gallate

IUPAC name [(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-[(2R,3R)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate
Other names Theaflavin-3'-monogallate TFMG TF-2
Identifiers
CAS number	28543-07-9^Y
PubChem	467321
ChemSpider	17216344^Y
Jmol-3D images	{{#if:Oc1cc(cc(O)c1O)C(=O)O[C@@H]2Cc7c(O)cc(O)cc7O[C@@H]2c4cc3\C=C(/C=C(/O)C(=O)c3c(O)c4O)[C@H]5Oc6cc(O)cc(O)c6C[C@H]5O\|Image 1
SMILES Oc1cc(cc(O)c1O)C(=O)O[C@@H]2Cc7c(O)cc(O)cc7O[C@@H]2c4cc3\C=C(/C=C(/O)C(=O)c3c(O)c4O)[C@H]5Oc6cc(O)cc(O)c6C[C@H]5O
InChI InChI=1S/C36H28O16/c37-15-6-20(39)17-10-25(44)34(50-26(17)8-15)13-1-12-2-19(30(45)33(48)29(12)32(47)24(43)3-13)35-28(11-18-21(40)7-16(38)9-27(18)51-35)52-36(49)14-4-22(41)31(46)23(42)5-14/h1-9,25,28,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t25-,28-,34-,35-/m1/s1^Y Key: AATSUYYYTHJRJO-RZYARBFNSA-N^Y InChI=1/C36H28O16/c37-15-6-20(39)17-10-25(44)34(50-26(17)8-15)13-1-12-2-19(30(45)33(48)29(12)32(47)24(43)3-13)35-28(11-18-21(40)7-16(38)9-27(18)51-35)52-36(49)14-4-22(41)31(46)23(42)5-14/h1-9,25,28,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t25-,28-,34-,35-/m1/s1 Key: AATSUYYYTHJRJO-RZYARBFNBG
Properties
Molecular formula	C₃₆H₂₈O₁₆
Molar mass	716.59 g/mol
Y (verify) (what is: Y/N?) Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
Infobox references

Theaflavin-3-gallate is a theaflavin derivative. It can be found in black tea.^[1]

References

v t e Thearubigins

Theaflavins	Theaflavin Theaflavin-3-gallate Theaflavin 3'-gallate Theaflavin 3,3' digallate Theasinensin A and B

Oxidated theaflavins	Bistheaflavin-A Bistheaflavin-B Theacitrin

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