Spektraris NMR
2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one
Common Name: 2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one
Synonyms: 2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one
CAS Registry Number:
InChI: InChI=1S/C18H14O7/c1-21-10-6-11(19)15-14(7-10)25-17(18(22-2)16(15)20)9-3-4-12-13(5-9)24-8-23-12/h3-7,19H,8H2,1-2H3
InChIKey: InChIKey=KZBUZACVMLEHTG-UHFFFAOYSA-N
Formula: C18H14O7
Molecular Weight: 342.300251
Exact Mass: 342.073953
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Calvert, D.J., Cambie, R.C., Davis, B.R. Org Magn Reson (1979) 12, 583-6
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) | 154.9 |
| 3 (C) | 138.6 |
| 4 (C) | 178 |
| 5 (C) | 161 |
| 6 (CH) | 97.8 |
| 7 (C) | 165.2 |
| 8 (CH) | 92.4 |
| 9 (C) | 156.3 |
| 10 (C) | 105.4 |
| 1' (C) | 123.5 |
| 2' (CH) | 107.9 |
| 3' (C) | 147.7 |
| 4' (C) | 149.5 |
| 5' (CH) | 108.4 |
| 6' (CH) | 123.5 |
| 3a (CH3) | 59.7 |
| 7a (CH3) | 56 |
| 3'a (CH2) | 101.8 |
