Spektraris NMR
1R-Dauca-4,7-diene-6,9-dione
Common Name: 1R-Dauca-4,7-diene-6,9-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O2/c1-9(2)11-5-6-15(4)8-13(17)10(3)7-12(16)14(11)15/h7,9H,5-6,8H2,1-4H3/t15-/m1/s1
InChIKey: InChIKey=ITNSNVTUJVTDEV-OAHLLOKOSA-N
Formula: C15H20O2
Molecular Weight: 232.318663
Exact Mass: 232.14633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Spagliardi, P., Sterner, O., Milligan, S. J Nat Prod (2004) 67, 1557-64
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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 |
|---|---|
| 1 (C) | 45.1 |
| 2 (CH2) | 29.6 |
| 3 (CH2) | 39.2 |
| 4 (C) | 167 |
| 5 (C) | 139.8 |
| 6 (C) | 189.5 |
| 7 (CH) | 138.2 |
| 8 (C) | 144 |
| 9 (C) | 199.7 |
| 10 (CH2) | 55.1 |
| 11 (CH) | 28.3 |
| 12 (CH3) | 20.7 |
| 13 (CH3) | 20.6 |
| 14 (CH3) | 23.1 |
| 15 (CH3) | 20.4 |
