Spektraris NMR
3,5,7-Trihydroxy-3-(4-methoxybenzyl)chroman-4-one
Common Name: 3,5,7-Trihydroxy-3-(4-methoxybenzyl)chroman-4-one
Synonyms: 3,5,7-Trihydroxy-3-(4-methoxybenzyl)chroman-4-one
CAS Registry Number:
InChI: InChI=1S/C17H16O6/c1-22-12-4-2-10(3-5-12)8-17(21)9-23-14-7-11(18)6-13(19)15(14)16(17)20/h2-7,18-19,21H,8-9H2,1H3
InChIKey: InChIKey=BLSFQQNRFOVLGQ-UHFFFAOYSA-N
Formula: C17H16O6
Molecular Weight: 316.305992
Exact Mass: 316.094688
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Mutanyatta, J., Matapa, B.G., Shushu, D.D., Abegaz, B.M. Phytochemistry (2003) 62, 797-804
Species:
Notes: Family : Flavonoids, Type : Homoisoflavonoids; 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 (CH2) | 72 |
| 3 (C) | 72.3 |
| 4 (C) | 198.1 |
| 5 (C) | 164.8 |
| 6 (CH) | 96 |
| 7 (C) | 163.4 |
| 8 (CH) | 96 |
| 9 (C) | 163.4 |
| 10 (C) | 99.7 |
| 11 (CH2) | 40.1 |
| 1' (C) | 127.5 |
| 2' (CH) | 132.1 |
| 3' (CH) | 113.7 |
| 4' (C) | 159.2 |
| 5' (CH) | 113.7 |
| 6' (CH) | 132.1 |
| 4'a (CH3) | 54.9 |
