Theaflavin-3,3'-digallate

CAS: 30462-35-2

Ref. 3D-FT65480

Product Information

• Name: Theaflavin-3,3'-digallate
• Synonyms: [(2R,3R)-2-[1-[(2R,3R)-5,7-Dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annul en-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
• Brand: Biosynth
• Description: Theaflavin-3,3'-digallate is a polyphenolic compound, which is primarily derived from black tea through the oxidative fermentation of tea leaves. This compound is part of the theaflavins, which result from the enzymatic oxidation of catechins, the major constituents of green tea. It exhibits various biological activities due to its complex molecular structure, which includes multiple hydroxyl groups that facilitate specific intermolecular interactions.

Chemical properties

• Molecular weight: 868.7 g/mol
• Formula: C₄₃H₃₂O₂₀
• Purity: Min. 95%
• Color/Form: Red Powder
• InChI: InChI=1S/C43H32O20/c44-17-7-23(46)21-12-33(62-42(58)15-3-25(48)36(54)26(49)4-15)40(60-31(21)9-17)14-1-19-20(11-30(53)39(57)35(19)38(56)29(52)2-14)41-34(13-22-24(47)8-18(45)10-32(22)61-41)63-43(59)16-5-27(50)37(55)28(51)6-16/h1-11,33-34,40-41,44-51,53-55,57H,12-13H2,(H,52,56)/t33-,34+,40-,41+/m1/s1
• InChI key: InChIKey=ZEASWHWETFMWCV-VRCJZDCUSA-N
• SMILES: O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c2c(=O)c(O)cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)cc12)c1cc(O)c(O)c(O)c1