Spektraris NMR
5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone
Common Name: 5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone
Synonyms: 5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone
CAS Registry Number:
InChI: InChI=1S/C18H16O9/c1-24-16-11(21)10-12(22)17(25-2)14(7-4-5-8(19)9(20)6-7)27-15(10)18(26-3)13(16)23/h4-6,19-21,23H,1-3H3
InChIKey: InChIKey=AOOSHVWNBJZOEH-UHFFFAOYSA-N
Formula: C18H16O9
Molecular Weight: 376.314943
Exact Mass: 376.079432
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) | 155.4 |
| 3 (C) | 137.3 |
| 4 (C) | 178.3 |
| 5 (C) | 147.9 |
| 6 (C) | 131.3 |
| 7 (C) | 150.7 |
| 8 (C) | 127.7 |
| 9 (C) | 144.5 |
| 10 (C) | 103.4 |
| 1' (C) | 120.9 |
| 2' (CH) | 115.2 |
| 3' (C) | 145.3 |
| 4' (C) | 148.8 |
| 5' (CH) | 115.8 |
| 6' (CH) | 120.5 |
| 3a (CH3) | 60.1 |
| 6a (CH3) | 59.6 |
| 8a (CH3) | 61.2 |
