CAS 30462-35-2: Theaflavin 3
Description:Theaflavin 3, with the CAS number 30462-35-2, is a polyphenolic compound primarily found in black tea. It is one of the key theaflavins formed during the oxidation of catechins in tea leaves. Theaflavin 3 is characterized by its antioxidant properties, which contribute to various health benefits, including potential anti-inflammatory and anti-cancer effects. This compound exhibits a yellow to orange color, which is typical of theaflavins, and it plays a significant role in the flavor and color profile of brewed black tea. Theaflavin 3, like other theaflavins, is soluble in water and has a relatively stable structure, allowing it to maintain its properties during the brewing process. Its presence in tea not only enhances the beverage's sensory attributes but also contributes to its nutritional value. Research continues to explore the various biological activities of theaflavins, including their effects on cardiovascular health and metabolic processes.
Formula:C43H32O20
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-ISBUVJFSSA-N
SMILES:O=C(OC1CC=2C(O)=CC(O)=CC2OC1C=3C=C(O)C(=O)C4=C(O)C(O)=CC(=C4C3)C5OC=6C=C(O)C=C(O)C6CC5OC(=O)C7=CC(O)=C(O)C(O)=C7)C8=CC(O)=C(O)C(O)=C8
- Synonyms:
- 3,4,5-Trihydroxybenzoic acid (3,4,6-trihydroxy-5-oxo-5H-benzocycloheptene-1,8-diyl)bis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-2,3-diyl] ester
- Benzoic acid, 3,4,5-trihydroxy-, (3,4,6-trihydroxy-5-oxo-5H-benzocycloheptene-1,8-diyl)bis(3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-2,3-diyl) ester, [2R-[2α(2R*,3R*),3α]]-
- Benzoic acid, 3,4,5-trihydroxy-, (3,4,6-trihydroxy-5-oxo-5H-benzocycloheptene-1,8-diyl)bis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-2,3-diyl] ester
- Benzoic acid, 3,4,5-trihydroxy-, 1,1′-[(3,4,6-trihydroxy-5-oxo-5H-benzocycloheptene-1,8-diyl)bis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-2,3-diyl]] ester
- Theaflavin 3,3'-di-O-gallate
- Theaflavin 3,3′-digallate