Spektraris NMR
7a-Hydroxynootkatone
Common Name: 7a-Hydroxynootkatone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-10(2)15(17)6-5-12-8-13(16)7-11(3)14(12,4)9-15/h8,11,17H,1,5-7,9H2,2-4H3/t11-,14+,15+/m1/s1
InChIKey: InChIKey=QBKWNYIOJCLJJI-UGFHNGPFSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
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) | 124.5 |
| 2 (C) | 199.6 |
| 3 (CH2) | 41.8 |
| 4 (CH) | 41.5 |
| 5 (C) | 39.1 |
| 6 (CH2) | 47.2 |
| 7 (C) | 74.5 |
| 8 (CH2) | 35.9 |
| 9 (CH2) | 28.9 |
| 10 (C) | 171 |
| 11 (C) | 151.7 |
| 12 (CH3) | 19.1 |
| 13 (CH2) | 109.8 |
| 14 (CH3) | 18.7 |
| 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.