Spektraris NMR
3,5,6,7,8,4¥-Hexamethoxyflavone
Common Name: 3,5,6,7,8,4¥-Hexamethoxyflavone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O8/c1-23-12-9-7-11(8-10-12)15-18(25-3)14(22)13-16(24-2)19(26-4)21(28-6)20(27-5)17(13)29-15/h7-10H,1-6H3
InChIKey: InChIKey=OBIOZWXPDBWYHB-UHFFFAOYSA-N
Formula: C21H22O8
Molecular Weight: 402.39539
Exact Mass: 402.131468
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sugiyama, S., Umehara, K., Kuroyanagi, M., Ueno, A., Taki, T. Chem Pharm Bull (1993) 41, 714-9
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) | 151.3 |
| 3 (C) | 140.7 |
| 4 (C) | 174 |
| 5 (C) | 143.9 |
| 6 (C) | 138 |
| 7 (C) | 153.5 |
| 8 (C) | 138 |
| 9 (C) | 148.2 |
| 10 (C) | 115.2 |
| 1' (C) | 123.4 |
| 2' (CH) | 130 |
| 3' (CH) | 114.2 |
| 4' (C) | 161.5 |
| 5' (CH) | 114.2 |
| 6' (CH) | 130 |
| 3a (CH3) | 55 |
| 5a (CH3) | 62.4 |
| 6a (CH3) | 61.9 |
| 7a (CH3) | 62.1 |
| 8a (CH3) | 61.7 |
| 4'a (CH3) | 58 |
