Spektraris NMR
5-Hydroxy-6,7-dimethoxy-3-(4-hydroxybenzyl)chroman-4-one
Common Name: 5-Hydroxy-6,7-dimethoxy-3-(4-hydroxybenzyl)chroman-4-one
Synonyms: 5-Hydroxy-6,7-dimethoxy-3-(4-hydroxybenzyl)chroman-4-one
CAS Registry Number:
InChI: InChI=1S/C18H18O6/c1-22-14-8-13-15(17(21)18(14)23-2)16(20)11(9-24-13)7-10-3-5-12(19)6-4-10/h3-6,8,11,19,21H,7,9H2,1-2H3
InChIKey: InChIKey=ALJBUGCEHCIDIM-UHFFFAOYSA-N
Formula: C18H18O6
Molecular Weight: 330.332609
Exact Mass: 330.110338
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) | 69.6 |
| 3 (CH) | 48.8 |
| 4 (C) | 190.8 |
| 5 (C) | 147.1 |
| 6 (C) | 135.1 |
| 7 (C) | 154.5 |
| 8 (CH) | 96.1 |
| 9 (C) | 156.9 |
| 10 (C) | 108.8 |
| 11 (CH2) | 32 |
| 1' (C) | 129.9 |
| 2' (CH) | 130.4 |
| 3' (CH) | 115.6 |
| 4' (C) | 156.4 |
| 5' (CH) | 115.6 |
| 6' (CH) | 130.4 |
| 6a (CH3) | 60.7 |
| 7a (CH3) | 56 |
