Spektraris NMR
9b -Hydroxynootkatone
Common Name: 9b -Hydroxynootkatone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h7,10-11,14,17H,1,5-6,8H2,2-4H3/t10-,11-,14+,15+/m1/s1
InChIKey: InChIKey=AHROGQKIGMNGTG-FIXIBIHLSA-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) | 120.7 |
| 2 (C) | 199.8 |
| 3 (CH2) | 41.8 |
| 4 (CH) | 40.8 |
| 5 (C) | 39.7 |
| 6 (CH2) | 43.8 |
| 7 (CH) | 38.3 |
| 8 (CH2) | 40.8 |
| 9 (CH) | 69 |
| 10 (C) | 171.4 |
| 11 (C) | 147.8 |
| 12 (CH3) | 20.7 |
| 13 (CH2) | 109.2 |
| 14 (CH3) | 17.6 |
| 15 (CH3) | 15.1 |
