Spektraris NMR
3',4',5,7-Tetrahydroxy-3,8-dimethoxyflavone
Common Name: 3',4',5,7-Tetrahydroxy-3,8-dimethoxyflavone
Synonyms: 3',4',5,7-Tetrahydroxy-3,8-dimethoxyflavone
CAS Registry Number:
InChI: InChI=1S/C17H14O8/c1-23-15-11(21)6-10(20)12-13(22)17(24-2)14(25-16(12)15)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3
InChIKey: InChIKey=RRYQDECFPVYHLR-UHFFFAOYSA-N
Formula: C17H14O8
Molecular Weight: 346.28892
Exact Mass: 346.068867
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) | 155.9 |
| 3 (C) | 137.7 |
| 4 (C) | 178 |
| 5 (C) | 155.4 |
| 6 (CH) | 98.8 |
| 7 (C) | 156.8 |
| 8 (C) | 127.6 |
| 9 (C) | 148.5 |
| 10 (C) | 104.1 |
| 1' (C) | 121 |
| 2' (CH) | 115.3 |
| 3' (C) | 145.3 |
| 4' (C) | 148.8 |
| 5' (CH) | 115.9 |
| 6' (CH) | 120.6 |
| 3a (CH3) | 59.6 |
| 8a (CH3) | 61.1 |
