Spektraris NMR
α-bisabolsesquiterpene
Common Name: α-bisabolsesquiterpene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m0/s1
InChIKey: InChIKey=RGZSQWQPBWRIAQ-LSDHHAIUSA-N
Formula: C15H26O1
Molecular Weight: 222.366903
Exact Mass: 222.198365
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Piochon, M., Legault, J., Gauthier, C., Pichette, A. Phytochemistry (2009) 70, 228-36
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 (CH2) | 26.9 |
| 2 (CH) | 120.5 |
| 3 (C) | 134.1 |
| 4 (CH2) | 31 |
| 5 (CH2) | 22 |
| 6 (CH) | 42.9 |
| 7 (C) | 74.3 |
| 8 (CH2) | 40.1 |
| 9 (CH2) | 23.2 |
| 10 (CH) | 124.5 |
| 11 (C) | 131.7 |
| 12 (CH3) | 17.7 |
| 13 (CH3) | 25.7 |
| 14 (CH3) | 23.3 |
| 15 (CH3) | 23.1 |
