Spektraris NMR
4-Phenyl-5-methoxy-7-hydroxy-8-benzoylcoumarin
Common Name: 4-Phenyl-5-methoxy-7-hydroxy-8-benzoylcoumarin
Synonyms: 4-Phenyl-5-methoxy-7-hydroxy-8-benzoylcoumarin
CAS Registry Number:
InChI: InChI=1S/C23H16O5/c1-27-18-13-17(24)21(22(26)15-10-6-3-7-11-15)23-20(18)16(12-19(25)28-23)14-8-4-2-5-9-14/h2-13,24H,1H3
InChIKey: InChIKey=QZSUHARGUIOEMN-UHFFFAOYSA-N
Formula: C23H16O5
Molecular Weight: 372.371002
Exact Mass: 372.099774
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cao S.G., Sim K.Y., Goh S.H. Heterocycles (1997) 45, 2045
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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) | 158.1 |
| 3 (CH) | 112.8 |
| 4 (C) | 155.5 |
| 5 (C) | 162.4 |
| 6 (CH) | 96.1 |
| 7 (C) | 167 |
| 8 (C) | 104.3 |
| 9 (C) | 156.8 |
| 10 (C) | 102.6 |
| 1' (C) | 139.5 |
| 2' (CH) | 126.8 |
| 3' (CH) | 127.4 |
| 4' (CH) | 127.9 |
| 5' (CH) | 127.4 |
| 6' (CH) | 126.8 |
| 5a (CH3) | 55.6 |
| 8a (C) | 198.5 |
| 8b (C) | 140.1 |
| 8c (CH) | 128.1 |
| 8d (CH) | 128.1 |
| 8e (CH) | 132.3 |
| 8f (CH) | 128.1 |
| 8g (CH) | 128.1 |
