Spektraris NMR
Nootkatone
Common Name: Nootkatone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1
InChIKey: InChIKey=WTOYNNBCKUYIKC-JMSVASOKSA-N
Formula: C15H22O1
Molecular Weight: 218.33514
Exact Mass: 218.167065
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Han, Y.F., Pan, J., Gao, K., Jia, Z.J. Chem Pharm Bull (2005) 53, 1338-41
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 124.6 |
| 2 (C) | 199.6 |
| 3 (CH2) | 42 |
| 4 (CH) | 40.4 |
| 5 (C) | 39.3 |
| 6 (CH2) | 43.9 |
| 7 (CH) | 40.3 |
| 8 (CH2) | 31.6 |
| 9 (CH2) | 33 |
| 10 (C) | 170.4 |
| 11 (C) | 149 |
| 12 (CH3) | 20.8 |
| 13 (CH2) | 109.2 |
| 14 (CH3) | 16.8 |
| 15 (CH3) | 14.9 |
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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.