Spektraris NMR
trans-b-farnesene
Common Name: trans-b-farnesene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h5,9,13H,4,6-8H2,1-3H3/t13-,15+/m0/s1
InChIKey: InChIKey=PPKYWUUCDHWAPN-DZGCQCFKSA-N
Formula: C15H20O1
Molecular Weight: 216.319258
Exact Mass: 216.151415
NMR Solvent: CM
MHz:
Calibration:
NMR references: 13C - Gavagnin, M., Mollo, E., Castelluccio, F., Crispino, A., Cimino, G. J Nat Prod (2003) 66, 1517-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH2) | 37.5 |
| 2 (CH2) | 23.2 |
| 3 (CH) | 122.2 |
| 4 (C) | 134.9 |
| 5 (CH) | 44.3 |
| 6 (CH2) | 21.7 |
| 7 (C) | 117.7 |
| 8 (C) | 150.6 |
| 9 (CH2) | 39 |
| 10 (C) | 33.5 |
| 11 (C) | 120.1 |
| 12 (CH) | 137.2 |
| 13 (CH3) | 8.2 |
| 14 (CH3) | 16.6 |
| 15 (CH3) | 21.4 |
