Spektraris NMR
7',3',4'-Trihydroxy-5-methoxy-4-phenylcoumarin
Common Name: 7',3',4'-Trihydroxy-5-methoxy-4-phenylcoumarin
Synonyms: 7',3',4'-Trihydroxy-5-methoxy-4-phenylcoumarin
CAS Registry Number:
InChI: InChI=1S/C16H12O6/c1-21-13-5-9(17)6-14-16(13)10(7-15(20)22-14)8-2-3-11(18)12(19)4-8/h2-7,17-19H,1H3
InChIKey: InChIKey=XHSQEMRVWPSWDD-UHFFFAOYSA-N
Formula: C16H12O6
Molecular Weight: 300.263493
Exact Mass: 300.063388
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Delle Monache G., Botta B., Vinciguerra V., Gacs-Baitz E. Heterocycles (1989) 29, 355
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) | 160.7 |
| 3 (CH) | 112.1 |
| 4 (C) | 156.7 |
| 5 (C) | 159.9 |
| 6 (CH) | 97 |
| 7 (C) | 162.6 |
| 8 (CH) | 96.7 |
| 9 (C) | 158.2 |
| 10 (C) | 103.4 |
| 1' (C) | 132.7 |
| 2' (CH) | 115.8 |
| 3' (C) | 145 |
| 4' (C) | 146.1 |
| 5' (CH) | 115.1 |
| 6' (CH) | 120.1 |
| 5a (CH3) | 56 |
