Spektraris NMR
5,7,3'-Trihydroxy-2',4',5'-trimethoxyflavone
Common Name: 5,7,3'-Trihydroxy-2',4',5'-trimethoxyflavone
Synonyms: 5,7,3'-Trihydroxy-2',4',5'-trimethoxyflavone
CAS Registry Number:
InChI: InChI=1S/C18H16O8/c1-23-14-6-9(17(24-2)16(22)18(14)25-3)12-7-11(21)15-10(20)4-8(19)5-13(15)26-12/h4-7,19-20,22H,1-3H3
InChIKey: InChIKey=IFWCMOJROJGCTG-UHFFFAOYSA-N
Formula: C18H16O8
Molecular Weight: 360.315538
Exact Mass: 360.084517
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Juma, B.F., Yenese, A., Midiwo, J.O., Waterman, P.G. Phytochemistry (2001) 57, 571-4
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) | 163.2 |
| 3 (CH) | 109.5 |
| 4 (C) | 183.5 |
| 5 (C) | 163.7 |
| 6 (CH) | 100.5 |
| 7 (C) | 166.4 |
| 8 (CH) | 95.4 |
| 9 (C) | 159.3 |
| 10 (C) | 105.5 |
| 1' (C) | 115.3 |
| 2' (C) | 149 |
| 3' (C) | 143.5 |
| 4' (C) | 146.7 |
| 5' (C) | 146.6 |
| 6' (CH) | 107.6 |
| 2'a (CH3) | 61.8 |
| 4'a (CH3) | 61.1 |
| 5'a (CH3) | 57 |
