Theaflavin digallate
Theaflavin digallate
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| Names |
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IUPAC name
[1-[(2R,3R)-3,5-Dihydroxy-7-(3,4,5-trihydroxybenzoyl)oxychroman-2-yl]-3,5-dihydroxy-6-oxo-8-[(3R)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-4-yl] 3,4,5-trihydroxybenzoate
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| Other names
TFDG
TF-3
Theaflavin-3,3'-digallate
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| Identifiers |
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| ChemSpider |
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InChI=1S/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  Y
Key: FJYGFTHLNNSVPY-BBXLVSEPSA-N Y
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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
Key: FJYGFTHLNNSVPY-BBXLVSEPBI
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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
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| Properties |
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C43H32O20
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| Molar mass |
868.71 g·mol−1
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Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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| Infobox references |
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Theaflavin digallate (TFDG) is an antioxidant natural phenol found in black tea, and a theaflavin derivative.
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