Spektraris NMR
Cedronellone
Common Name: Cedronellone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-18(2)11-7-14(18)13-5-6-20(22-15(13)8-11)16-9-12(10-17(20)21)19(16,3)4/h11-12,14,16H,5-10H2,1-4H3/t11-,12-,14+,16-,20-/m1/s1
InChIKey: InChIKey=YZHBEINUZQDPPT-AOCUGIFJSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Carreiras, M.C., Rodriguez, B., Lopez Garcia, R.E., Rabanal, R.M. Phytochemistry (1987) 26, 3351-3
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Pinanes; 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 (CH) | 43.9 |
| 2 (C) | 112.3 |
| 3 (C) | 142.5 |
| 4 (CH2) | 32.9 |
| 5 (CH) | 40.4 |
| 6 (CH2) | 32.3 |
| 7 (C) | 40.1 |
| 8 (CH3) | 22.1 |
| 9 (CH3) | 27.3 |
| 10 (CH2) | 21.7 |
| 1' (CH) | 44.9 |
| 2' (C) | 80.3 |
| 3' (C) | 208.5 |
| 4' (CH2) | 43.2 |
| 5' (CH) | 37.9 |
| 6' (CH2) | 27 |
| 7' (C) | 38 |
| 8' (CH3) | 20.5 |
| 9' (CH3) | 25.9 |
| 10' (CH2) | 27 |
