Spektraris NMR
(S)-beta-macrocarpene
Common Name: (S)-beta-macrocarpene
Synonyms: (S)-beta-macrocarpene
CAS Registry Number:
InChI: InChI=1S/C15H24/c1-12-6-8-13(9-7-12)14-5-4-10-15(2,3)11-14/h5-6,13H,4,7-11H2,1-3H3/t13-/m1/s1
InChIKey: InChIKey=BKRLNEMLMVJATK-CYBMUJFWSA-N
Formula: C15H24
Molecular Weight: 204.351617
Exact Mass: 204.187801
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cool, L.G. Phytochemistry (2005) 66, 249-60
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Macrocarpanes; 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) | 41.3 |
| 2 (CH2) | 27.7 |
| 3 (CH2) | 30.7 |
| 4 (C) | 133.7 |
| 5 (CH) | 120.9 |
| 6 (CH2) | 30.7 |
| 7 (C) | 140.8 |
| 8 (CH2) | 40.5 |
| 9 (C) | 29 |
| 10 (CH2) | 35.3 |
| 11 (CH2) | 23.1 |
| 12 (CH) | 117.8 |
| 13 (CH3) | 28 |
| 14 (CH3) | 28.4 |
| 15 (CH3) | 23.5 |
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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.