Spektraris NMR
8,3'-Dihydroxy-5,7,4'-trimethoxy-4-phenylcoumarin
Common Name: 8,3'-Dihydroxy-5,7,4'-trimethoxy-4-phenylcoumarin
Synonyms: 8,3'-Dihydroxy-5,7,4'-trimethoxy-4-phenylcoumarin
CAS Registry Number:
InChI: InChI=1S/C18H16O7/c1-22-12-5-4-9(6-11(12)19)10-7-15(20)25-18-16(10)13(23-2)8-14(24-3)17(18)21/h4-8,19,21H,1-3H3
InChIKey: InChIKey=BZCWUSCPRCGNBH-UHFFFAOYSA-N
Formula: C18H16O7
Molecular Weight: 344.316133
Exact Mass: 344.089603
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) | 160.6 |
| 3 (CH) | 111.7 |
| 4 (C) | 145.6 |
| 5 (C) | 156.2 |
| 6 (CH) | 94.5 |
| 7 (C) | 151.9 |
| 8 (C) | 128.1 |
| 9 (C) | 150.8 |
| 10 (C) | 103.3 |
| 1' (C) | 133.6 |
| 2' (CH) | 115.3 |
| 3' (C) | 143.9 |
| 4' (C) | 148.2 |
| 5' (CH) | 111.4 |
| 6' (CH) | 119.1 |
| 5a (CH3) | 56.1 |
| 7a (CH3) | 56.8 |
| 4'a (CH3) | 56.8 |
