Spektraris NMR
3'-Hydroxy-5,7,8,4'-tetramethoxy-4-phenylcoumarin
Common Name: 3'-Hydroxy-5,7,8,4'-tetramethoxy-4-phenylcoumarin
Synonyms: 3'-Hydroxy-5,7,8,4'-tetramethoxy-4-phenylcoumarin
CAS Registry Number:
InChI: InChI=1S/C19H18O7/c1-22-13-6-5-10(7-12(13)20)11-8-16(21)26-19-17(11)14(23-2)9-15(24-3)18(19)25-4/h5-9,20H,1-4H3
InChIKey: InChIKey=SLFKJURBMBVJDK-UHFFFAOYSA-N
Formula: C19H18O7
Molecular Weight: 358.34275
Exact Mass: 358.105253
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Delle Monache G., Botta B., Vinciguerra V., Pinheiro R.M. Phytochemistry (1990) 29, 3984
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) | 159.3 |
| 3 (CH) | 111.5 |
| 4 (C) | 155.7 |
| 5 (C) | 153.6 |
| 6 (CH) | 94 |
| 7 (C) | 155.3 |
| 8 (C) | 129.8 |
| 9 (C) | 144.6 |
| 10 (C) | 102.8 |
| 1' (C) | 132 |
| 2' (CH) | 114.9 |
| 3' (C) | 145.5 |
| 4' (C) | 147.7 |
| 5' (CH) | 111.2 |
| 6' (CH) | 118.2 |
| 5a (CH3) | 56.3 |
| 7a (CH3) | 56.1 |
| 8a (CH3) | 60.7 |
| 4'a (CH3) | 55.6 |
