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Theaflavin digallate facts for kids

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Theaflavin digallate
Theaflavin digallate.png
Preferred IUPAC name
3-Hydroxy-5-oxo-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulene-4,6-diyl bis(3,4,5-trihydroxybenzoate)
Other names TFDG
TF-3
Theaflavin-3,3'-digallate
Identifiers
CAS number 33377-72-9
PubChem 5748168
SMILES Oc1cc(cc(O)c1O)C(=O)Oc5c(O)cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)c6\C=C(/C=C(/OC(=O)c4cc(O)c(O)c(O)c4)C(=O)c56)[C@H]7Oc8cc(O)cc(O)c8C[C@H]7O
InChI
InChI=1/C43H32O20/c44-17-7-23(46)21-12-29(52)39(60-32(21)9-17)14-1-19-20(40-30(53)13-22-24(47)8-18(45)10-33(22)61-40)11-31(54)41(63-43(59)16-4-27(50)37(56)28(51)5-16)35(19)38(57)34(6-14)62-42(58)15-2-25(48)36(55)26(49)3-15/h1-11,29-30,39-40,44-56H,12-13H2/t29-,30-,39-,40-/m1/s1
Properties
Molecular formula C43H32O20
Molar mass 868.59 g mol-1
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

Theaflavin digallate (TFDG) is an antioxidant natural phenol found in black tea, and a theaflavin derivative.

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