Spektraris NMR
3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone
Common Name: 3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone
Synonyms: 3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone
CAS Registry Number:
InChI: InChI=1S/C17H14O9/c1-24-16-11(21)9-10(20)12(22)14(6-3-4-7(18)8(19)5-6)26-15(9)17(25-2)13(16)23/h3-5,18-19,21-23H,1-2H3
InChIKey: InChIKey=KSJBARLBEFNDQZ-UHFFFAOYSA-N
Formula: C17H14O9
Molecular Weight: 362.288325
Exact Mass: 362.063782
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) | 150.4 |
| 3 (C) | 135.5 |
| 4 (C) | 176.2 |
| 5 (C) | 146.9 |
| 6 (C) | 130.9 |
| 7 (C) | 147.2 |
| 8 (C) | 127.7 |
| 9 (C) | 144.4 |
| 10 (C) | 102.3 |
| 1' (C) | 122.1 |
| 2' (CH) | 114.9 |
| 3' (C) | 145.1 |
| 4' (C) | 147.8 |
| 5' (CH) | 115.7 |
| 6' (CH) | 120 |
| 6a (CH3) | 61.2 |
| 8a (CH3) | 60.2 |
