For research use only. Not for therapeutic Use.
Isotheaflavin is one of antioxidant polyphenols in black tea[1].
| Catalog Number | I044888 |
| CAS Number | 31701-93-6 |
| Synonyms | 3,4,5-trihydroxy-8-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-one |
| Molecular Formula | C29H24O12 |
| Purity | ≥95% |
| InChI | InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22+,28+,29+/m0/s1 |
| InChIKey | IPMYMEWFZKHGAX-XDPYCTQPSA-N |
| SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O |
| Reference | [1]. D.T.Coxon, et al. Isotheaflavin. A new black tea pigment. Tetrahedron Letters. Volume 11, Issue 60, 1970, Pages 5241-5246. |
