Spektraris NMR
7-Methoxy-3-(3,4-methylenedioxyphenyl)-4-chromanone
Common Name: 7-Methoxy-3-(3,4-methylenedioxyphenyl)-4-chromanone
Synonyms: 7-Methoxy-3-(3,4-methylenedioxyphenyl)-4-chromanone
CAS Registry Number:
InChI: InChI=1S/C17H14O5/c1-19-11-3-4-12-15(7-11)20-8-13(17(12)18)10-2-5-14-16(6-10)22-9-21-14/h2-7,13H,8-9H2,1H3
InChIKey: InChIKey=LYGUDAUVXZFVNH-UHFFFAOYSA-N
Formula: C17H14O5
Molecular Weight: 298.290705
Exact Mass: 298.084124
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kirkiacharian, B.S., Brion, J.D., Gomis, M., Reynaud, P. Heterocycles (1980) 14, 1929-34
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanones; 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 (CH2) | 71.8 |
| 3 (CH) | 51.4 |
| 4 (C) | 190.7 |
| 5 (CH) | 129.4 |
| 6 (CH) | 110.1 |
| 7 (C) | 166 |
| 8 (CH) | 100.6 |
| 9 (C) | 163.4 |
| 10 (C) | 114.8 |
| 1' (C) | 129 |
| 2' (CH) | 108.9 |
| 3' (C) | 147.9 |
| 4' (C) | 147.1 |
| 5' (CH) | 108.5 |
| 6' (CH) | 121.8 |
| 7a (CH3) | 55.5 |
| 4'a (CH2) | 101 |
