Spektraris NMR
8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin
Common Name: 8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin
Synonyms: 8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin
CAS Registry Number:
InChI: InChI=1S/C17H14O7/c1-22-12-7-13(23-2)16(21)17-15(12)9(6-14(20)24-17)8-3-4-10(18)11(19)5-8/h3-7,18-19,21H,1-2H3
InChIKey: InChIKey=PAGBIWRSIJRQBS-UHFFFAOYSA-N
Formula: C17H14O7
Molecular Weight: 330.289515
Exact Mass: 330.073953
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - D'Agostino M., De Feo V., De Simone F., Pizza C. Phytochemistry (1989) 28, 1773
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) | 162.8 |
| 3 (CH) | 112.6 |
| 4 (C) | 158.7 |
| 5 (C) | 105.4 |
| 6 (CH) | 152.9 |
| 7 (C) | 95.9 |
| 8 (C) | 152.5 |
| 9 (C) | 129.6 |
| 10 (C) | 145.2 |
| 1' (C) | 133.1 |
| 2' (CH) | 116.2 |
| 3' (C) | 145.5 |
| 4' (C) | 146.8 |
| 5' (CH) | 115.6 |
| 6' (CH) | 120.4 |
| 5a (CH3) | 57.1 |
| 7a (CH3) | 57.2 |
