Spektraris NMR
3,6,8,3',4'-Pentamethoxy-5,7-dihydroxyflavone
Common Name: 3,6,8,3',4'-Pentamethoxy-5,7-dihydroxyflavone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O9/c1-24-10-7-6-9(8-11(10)25-2)16-19(27-4)14(22)12-13(21)18(26-3)15(23)20(28-5)17(12)29-16/h6-8,21,23H,1-5H3
InChIKey: InChIKey=WQBRHVZCPYMWIG-UHFFFAOYSA-N
Formula: C20H20O9
Molecular Weight: 404.368177
Exact Mass: 404.110732
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Simonsen, H.T., Larsen, M.D., Nielsen, M.W., Adsersen, A., Olsen, C.E., Strasberg, D., Smitt, U.W., Jaroszewski, J.W. Phytochemistry (2002) 60, 817-20
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (C) | 155.6 |
| 3 (C) | 138.6 |
| 4 (C) | 179.3 |
| 5 (C) | 151.5 |
| 6 (C) | 130.4 |
| 7 (C) | 148 |
| 8 (C) | 127.1 |
| 9 (C) | 144.9 |
| 10 (C) | 105.1 |
| 1' (C) | 123.1 |
| 2' (CH) | 111 |
| 3' (C) | 148.6 |
| 4' (C) | 148.8 |
| 5' (CH) | 111.1 |
| 6' (CH) | 122.2 |
| 3a (CH3) | 60.2 |
| 6a (CH3) | 61.1 |
| 8a (CH3) | 61.7 |
| 3'a (CH3) | 55.9 |
| 4'a (CH3) | 50 |
