Spektraris NMR
3-Hydroxy-6-methyl-3',4'-methylenedioxyflavone
Common Name: 3-Hydroxy-6-methyl-3',4'-methylenedioxyflavone
Synonyms: 3-Hydroxy-6-methyl-3',4'-methylenedioxyflavone
CAS Registry Number:
InChI: InChI=1S/C17H12O5/c1-9-2-4-12-11(6-9)15(18)16(19)17(22-12)10-3-5-13-14(7-10)21-8-20-13/h2-7,19H,8H2,1H3
InChIKey: InChIKey=KWAOBWWDFBQFGR-UHFFFAOYSA-N
Formula: C17H12O5
Molecular Weight: 296.274824
Exact Mass: 296.068473
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Calvert, D.J., Cambie, R.C., Davis, B.R. Org Magn Reson (1979) 12, 583-6
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) | 144.8 |
| 3 (C) | 138.2 |
| 4 (C) | 172.5 |
| 5 (CH) | 125.1 |
| 6 (C) | 133.9 |
| 7 (CH) | 134.7 |
| 8 (CH) | 120.8 |
| 9 (C) | 152.6 |
| 10 (C) | 118 |
| 1' (C) | 123.6 |
| 2' (CH) | 107.4 |
| 3' (C) | 147.4 |
| 4' (C) | 148.3 |
| 5' (CH) | 108.3 |
| 6' (CH) | 122.6 |
| 6a (CH3) | 20.4 |
| 3'a (CH2) | 101.6 |
