Spektraris NMR
β-Bourbonene
Common Name: β-Bourbonene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14+,15-/m0/s1
InChIKey: InChIKey=YIRAHEODBQONHI-ZQNQSHIBSA-N
Formula: C15H24
Molecular Weight: 204.351617
Exact Mass: 204.187801
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bulow, N., Konig, W.A. Phytochemistry (2000) 55, 141-68
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bourbonanes; 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) | 45.68 |
| 2 (CH2) | 27.3 |
| 3 (CH2) | 33.81 |
| 4 (C) | 157.57 |
| 5 (CH) | 47.87 |
| 6 (CH) | 54.96 |
| 7 (CH) | 56.76 |
| 8 (CH2) | 29.98 |
| 9 (CH2) | 42.02 |
| 10 (C) | 43.15 |
| 11 (CH) | 31.14 |
| 12 (CH3) | 21.83 |
| 13 (CH3) | 21.51 |
| 14 (CH3) | 21.56 |
| 15 (CH2) | 103.59 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.