Spektraris NMR
3'-Dimethylallylkievitone
Common Name: 3'-Dimethylallylkievitone
Synonyms: 3'-Dimethylallylkievitone
CAS Registry Number:
InChI: InChI=1S/C25H28O6/c1-13(2)5-7-16-19(26)10-9-15(23(16)29)18-12-31-25-17(8-6-14(3)4)20(27)11-21(28)22(25)24(18)30/h5-6,9-11,18,26-29H,7-8,12H2,1-4H3
InChIKey: InChIKey=FSHPJPOJLGCQOJ-UHFFFAOYSA-N
Formula: C25H28O6
Molecular Weight: 424.487168
Exact Mass: 424.188589
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Bojase G., Wanjala C.C., Majinda R.R. Phytochemistry (2001) 56, 837-41
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanones; 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 (CH2) | 70.1 |
| 3 (CH) | 45.4 |
| 4 (C) | 197.7 |
| 5 (C) | 163.3 |
| 6 (CH) | 97.1 |
| 7 (C) | 165 |
| 8 (C) | 106.9 |
| 9 (C) | 160.1 |
| 10 (C) | 102.2 |
| 1' (C) | 115.6 |
| 2' (C) | 154.5 |
| 3' (C) | 116.1 |
| 4' (C) | 155.6 |
| 5' (CH) | 108.9 |
| 6' (CH) | 125.8 |
| 1'' (CH2) | 22 |
| 2'' (CH) | 121.9 |
| 3'' (C) | 135.2 |
| 4'' (CH3) | 18.3 |
| 5'' (CH3) | 26.2 |
| 1''' (CH2) | 23.2 |
| 2''' (CH) | 122 |
| 3''' (C) | 135.6 |
| 4''' (CH3) | 18.3 |
| 5''' (CH3) | 26.2 |
