Spektraris NMR
Kaempferol 7,4'-dimethyl ether 3-O-sulfate
Common Name: Kaempferol 7,4'-dimethyl ether 3-O-sulfate
Synonyms: Kaempferol 7,4'-dimethyl ether 3-O-sulfate
CAS Registry Number:
InChI: InChI=1S/C17H14O9S/c1-23-10-5-3-9(4-6-10)16-17(26-27(20,21)22)15(19)14-12(18)7-11(24-2)8-13(14)25-16/h3-8,18H,1-2H3,(H,20,21,22)
InChIKey: InChIKey=WXRZYIAUGRZZHE-UHFFFAOYSA-N
Formula: C17H14O9S1
Molecular Weight: 394.35441
Exact Mass: 394.035853
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Nawwar, M.A.M., Souleman, A.M.A., Buddrus, J., Linscheid, M. Phytochemistry (1984) 23, 2347-9
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) | 156 |
| 3 (C) | 132.8 |
| 4 (C) | 177.9 |
| 5 (C) | 161.2 |
| 6 (CH) | 97.6 |
| 7 (C) | 165 |
| 8 (CH) | 92.2 |
| 9 (C) | 156.3 |
| 10 (C) | 105.2 |
| 1' (C) | 122.7 |
| 2' (CH) | 131 |
| 3' (CH) | 113.6 |
| 4' (C) | 161 |
| 5' (CH) | 113.6 |
| 6' (CH) | 131 |
| 7a (CH3) | 55.3 |
| 4'a (CH3) | 56 |
