Spektraris NMR
5,7,4'-Trimethoxy-4-phenylcoumarin
Common Name: 5,7,4'-Trimethoxy-4-phenylcoumarin
Synonyms: 5,7,4'-Trimethoxy-4-phenylcoumarin
CAS Registry Number:
InChI: InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)14-10-17(19)23-16-9-13(21-2)8-15(22-3)18(14)16/h4-10H,1-3H3
InChIKey: InChIKey=LUAQJOITTQBGCV-UHFFFAOYSA-N
Formula: C18H16O5
Molecular Weight: 312.317323
Exact Mass: 312.099774
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ito A., Chai H.B., Shin Y.G., Garcia R., Mejia M., Gao Q., Fairchild C.R., Lane K.E., Menendez A.T., Farnsworth N.R., Cordell G.A., Pezzuto J.M., Kinghorn A.D. Tetrahedron (2000) 56, 6401
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) | 161.3 |
| 3 (CH) | 112.8 |
| 4 (C) | 157.6 |
| 5 (C) | 158.6 |
| 6 (CH) | 96 |
| 7 (C) | 163.6 |
| 8 (CH) | 94 |
| 9 (C) | 158.6 |
| 10 (C) | 103.9 |
| 1' (C) | 132.4 |
| 2' (CH) | 129.1 |
| 3' (CH) | 113.1 |
| 4' (C) | 160 |
| 5' (CH) | 113.1 |
| 6' (CH) | 129.1 |
| 5a (CH3) | 55.8 |
| 7a (CH3) | 56.1 |
| 4'a (CH3) | 55.7 |
