Spektraris NMR
9(S)-4-oxo-7,8-dihydro-β-ionol
Common Name: 9(S)-4-oxo-7,8-dihydro-β-ionol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C13H22O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h9,14H,5-8H2,1-4H3/t9-/m0/s1
InChIKey: InChIKey=KNHUHSLRIKTCIY-VIFPVBQESA-N
Formula: C13H22O2
Molecular Weight: 210.313073
Exact Mass: 210.16198
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Macias, F.A., Lacret, R., Varela, R.M., Nogueiras, C., Molinillo, J.M.G. Phytochemistry (2008) 69, 2708-15
Species:
Notes: Family : Terpenoids, Type : Miscellanea, Group : Megastigmanes; 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 (C) | 36.4 |
| 2 (CH2) | 37.4 |
| 3 (CH2) | 34.3 |
| 4 (C) | 199.5 |
| 5 (C) | 131.5 |
| 6 (C) | 164.9 |
| 7 (CH2) | 26.8 |
| 8 (CH2) | 37.9 |
| 9 (CH) | 68.5 |
| 10 (CH3) | 23.5 |
| 11 (CH3) | 26.9 |
| 12 (CH3) | 27 |
| 13 (CH3) | 11.5 |
