Spektraris NMR
5-hydroxy-7-methoxy-3-(4'-hydroxybenzyl)-4-chromanone
Common Name: 5-hydroxy-7-methoxy-3-(4'-hydroxybenzyl)-4-chromanone
Synonyms: 5-hydroxy-7-methoxy-3-(4'-hydroxybenzyl)-4-chromanone
CAS Registry Number:
InChI: InChI=1S/C17H16O5/c1-21-13-7-14(19)16-15(8-13)22-9-11(17(16)20)6-10-2-4-12(18)5-3-10/h2-5,7-8,11,18-19H,6,9H2,1H3
InChIKey: InChIKey=FULPZMATFBTFNA-UHFFFAOYSA-N
Formula: C17H16O5
Molecular Weight: 300.306587
Exact Mass: 300.099774
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Mutanyatta, J., Matapa, B.G., Shushu, D.D., Abegaz, B.M. Phytochemistry (2003) 62, 797-804
Species:
Notes: Family : Flavonoids, Type : Homoisoflavonoids; 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) | 68.8 |
| 3 (CH) | 48.9 |
| 4 (C) | 193 |
| 5 (C) | 165.9 |
| 6 (CH) | 95.8 |
| 7 (C) | 163.5 |
| 8 (CH) | 93.3 |
| 9 (C) | 165.5 |
| 10 (C) | 104.2 |
| 11 (CH2) | 32.4 |
| 1' (C) | 129.6 |
| 2' (CH) | 130.1 |
| 3' (CH) | 115.3 |
| 4' (C) | 156.1 |
| 5' (CH) | 115.3 |
| 6' (CH) | 130.1 |
| 7a (CH3) | 55.2 |
