Spektraris NMR
.beta.-Gurjunene
Common Name: .beta.-Gurjunene
Synonyms: .beta.-Gurjunene
CAS Registry Number:
InChI: InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3/t10-,12?,13?,15+/m0/s1
InChIKey: InChIKey=MBIPADCEHSKJDQ-LAKVINJISA-N
Formula: C15H24
Molecular Weight: 204.351617
Exact Mass: 204.187801
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Tamada, A., Fujii, N., Asakawa, Y. Phytochemistry (1997) 46, 1203-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Aristolanes; 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) | 120.3 |
| 2 (CH2) | 25.7 |
| 3 (CH2) | 27.2 |
| 4 (CH) | 36.7 |
| 5 (C) | 36.8 |
| 6 (CH) | 33.5 |
| 7 (CH) | 19.6 |
| 8 (CH2) | 20.9 |
| 9 (CH2) | 30 |
| 10 (C) | 144.2 |
| 11 (C) | 18.5 |
| 12 (CH3) | 16.5 |
| 13 (CH3) | 29.9 |
| 14 (CH3) | 23 |
| 15 (CH3) | 16.1 |
