Spektraris NMR
9β-hydroxy-8-oxo-12-noreremophil-6-en-11-one
Common Name: 9β-hydroxy-8-oxo-12-noreremophil-6-en-11-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H20O3/c1-8-5-4-6-11-13(17)12(16)10(9(2)15)7-14(8,11)3/h7-8,11,13,17H,4-6H2,1-3H3/t8-,11+,13+,14+/m0/s1
InChIKey: InChIKey=YWCGAOZHXSFYFT-UBVLEBKSSA-N
Formula: C14H20O3
Molecular Weight: 236.307332
Exact Mass: 236.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, Z.X., Fei, D.Q., Jia, Z.J. Helv Chim Acta (2008) 91, 1045-52
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 (CH2) | 22 |
| 2 (CH2) | 20.4 |
| 3 (CH2) | 30.5 |
| 4 (CH) | 35.9 |
| 5 (C) | 40.6 |
| 6 (CH) | 167.6 |
| 7 (C) | 133.3 |
| 8 (C) | 199.3 |
| 9 (CH) | 70.2 |
| 10 (CH) | 48.1 |
| 11 (C) | 196.4 |
| 13 (CH3) | 30.4 |
| 14 (CH3) | 19.3 |
| 15 (CH3) | 16.7 |
