Spektraris NMR
1-Hydroxyeremophil-7(11),9(10)-dien-8-one
Common Name: 1-Hydroxyeremophil-7(11),9(10)-dien-8-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-9(2)11-8-15(4)10(3)5-6-13(16)12(15)7-14(11)17/h7,10,13,16H,5-6,8H2,1-4H3/t10-,13+,15+/m0/s1
InChIKey: InChIKey=QGDQQZUIBMCIHH-PSOPSSQASA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Sorensen, D., Raditsis, A., Trimble, L.A., Blackwell, B.A., Sumarah, M.W., Miller, J.D. J Nat Prod (2007) 70, 121-3
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) | 72.13 |
| 2 (CH2) | 32.71 |
| 3 (CH2) | 24.88 |
| 4 (CH) | 42.22 |
| 5 (C) | 40.87 |
| 6 (CH2) | 42.24 |
| 7 (C) | 128.39 |
| 8 (C) | 190.92 |
| 9 (CH) | 129.03 |
| 10 (C) | 164.05 |
| 11 (C) | 142.38 |
| 12 (CH3) | 22.49 |
| 13 (CH3) | 21.8 |
| 14 (CH3) | 15.23 |
| 15 (CH3) | 17.8 |
