Spektraris NMR
beta-Sesquiphellandrene
Common Name: beta-Sesquiphellandrene
Synonyms: beta-Sesquiphellandrene
CAS Registry Number:
InChI: InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15+/m0/s1
InChIKey: InChIKey=PHWISBHSBNDZDX-LSDHHAIUSA-N
Formula: C15H24
Molecular Weight: 204.351617
Exact Mass: 204.187801
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, Y.M., Harrison, L.J., Tan, B.C. Tetrahedron (2009) 65, 4035-43
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) | 135.2 |
| 2 (CH) | 129.5 |
| 3 (C) | 143.8 |
| 4 (CH2) | 30.4 |
| 5 (CH2) | 24.5 |
| 6 (CH) | 40.6 |
| 7 (CH) | 36.6 |
| 8 (CH2) | 34.3 |
| 9 (CH2) | 26 |
| 10 (CH) | 124.8 |
| 11 (C) | 131.3 |
| 12 (CH3) | 17.6 |
| 13 (CH3) | 25.7 |
| 14 (CH3) | 15.9 |
| 15 (CH2) | 109.8 |
