NEOTHEAFLAVIN-3-O-GALLATE
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 7ODXSMPL73X |
|---|---|
| InChI | InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)35(51-27(18)7-14)17-9-25(44)33(48)30-16(17)1-12(2-24(43)32(30)47)34-29(11-19-21(40)6-15(38)8-28(19)50-34)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29-,34-,35+/m1/s1 |
| InChIKey | KMJPKUVSXFVQGZ-AHDOBCFOSA-N |
| Mol Weight | 716.6 g/mol |
| Molecular Formula | C36H28O16 |
| Exact Mass | 716.137735 g/mol |
| Enantiomer InChIKey | KMJPKUVSXFVQGZ-UFWXUVOHSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE-D6:D2O |
| Title | Journal or Book | Year |
|---|---|---|
| Theaflavate B, ISOTHEAFLAVIN-3′-O-GALLATE and NEOTHEAFLAVIN-3-O-GALLATE: three polyphenolic pigments from black tea | Phytochemistry | 1998 |
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.