Spektraris NMR
5,7,4'-Trihydroxy-3,6,8,3',5'-pentamethoxyflavone
Common Name: 5,7,4'-Trihydroxy-3,6,8,3',5'-pentamethoxyflavone
Synonyms: 5,7,4'-Trihydroxy-3,6,8,3',5'-pentamethoxyflavone
CAS Registry Number:
InChI: InChI=1S/C20H20O10/c1-25-9-6-8(7-10(26-2)12(9)21)16-19(28-4)14(23)11-13(22)18(27-3)15(24)20(29-5)17(11)30-16/h6-7,21-22,24H,1-5H3
InChIKey: InChIKey=DOUSAHOSFHEMPA-UHFFFAOYSA-N
Formula: C20H20O10
Molecular Weight: 420.367582
Exact Mass: 420.105647
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Roitman, J.N., James, L.F. Phytochemistry (1985) 24, 835-48
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) | 137.6 |
| 4 (C) | 178.3 |
| 5 (C) | 147.9 |
| 6 (C) | 131.3 |
| 7 (C) | 150.8 |
| 8 (C) | 127.7 |
| 9 (C) | 144.5 |
| 10 (C) | 103.4 |
| 1' (C) | 119.7 |
| 2' (CH) | 105.8 |
| 3' (C) | 147.8 |
| 4' (C) | 139 |
| 5' (C) | 147.8 |
| 6' (CH) | 105.8 |
| 3a (CH3) | 60.1 |
| 6a (CH3) | 56 |
| 8a (CH3) | 61.1 |
| 3'a (CH3) | 59.6 |
| 5'a (CH3) | 59.6 |
