Spektraris NMR
Isodaucane
Common Name: Isodaucane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24/c1-11(2)13-8-10-15(4)9-7-12(3)5-6-14(13)15/h7,13-14H,1,5-6,8-10H2,2-4H3/t13-,14+,15+/m1/s1
InChIKey: InChIKey=RLNLRKHTQIXWHM-ILXRZTDVSA-N
Formula: C15H24
Molecular Weight: 204.351617
Exact Mass: 204.187801
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Aladedunye, F.A., Benn, M.H., Okorie, D.A. Nat Prod Res (2008) 22, 879-83
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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 (C) | 42.5 |
| 2 (CH2) | 42 |
| 3 (CH2) | 23 |
| 4 (CH) | 50.3 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 28.3 |
| 7 (CH2) | 35.4 |
| 8 (C) | 138.8 |
| 9 (CH) | 122.7 |
| 10 (CH2) | 42.4 |
| 11 (C) | 148.1 |
| 12 (CH2) | 112.6 |
| 13 (CH3) | 23 |
| 14 (CH3) | 27.6 |
| 15 (CH3) | 19.3 |
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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.