Spektraris NMR
5,6-Dihydroxy-7,3',4'-Trimethoxyflavone
Common Name: 5,6-Dihydroxy-7,3',4'-Trimethoxyflavone
Synonyms: 5,6-Dihydroxy-7,3',4'-Trimethoxyflavone
CAS Registry Number:
InChI: InChI=1S/C18H16O7/c1-22-11-5-4-9(6-13(11)23-2)12-7-10(19)16-14(25-12)8-15(24-3)17(20)18(16)21/h4-8,20-21H,1-3H3
InChIKey: InChIKey=QIEMGQKOGFTYLN-UHFFFAOYSA-N
Formula: C18H16O7
Molecular Weight: 344.316133
Exact Mass: 344.089603
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Maldonado, E., Ortega, A. Phytochemistry (1997) 46, 1249-54
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) | 162.8 |
| 3 (CH) | 102.9 |
| 4 (C) | 181.4 |
| 5 (C) | 145.5 |
| 6 (C) | 129.3 |
| 7 (C) | 153.1 |
| 8 (CH) | 89.7 |
| 9 (C) | 149.2 |
| 10 (C) | 104.7 |
| 1' (C) | 122.8 |
| 2' (CH) | 108.2 |
| 3' (C) | 148.3 |
| 4' (C) | 151.2 |
| 5' (CH) | 110.5 |
| 6' (CH) | 119 |
| 7a (CH3) | 55.3 |
| 3'a (CH3) | 55.1 |
| 4'a (CH3) | 55 |
