Spektraris NMR
2-[(2E,6E)-3,7,11-Trimethyl-9-oxo-2,6-dodecadienyl]-5-methyl-1,4-benzoquinone
![2-[(2E,6E)-3,7,11-Trimethyl-9-oxo-2,6-dodecadienyl]-5-methyl-1,4-benzoquinone](/nmr/static/nmr/svg/8235.svg)
Common Name: 2-[(2E,6E)-3,7,11-Trimethyl-9-oxo-2,6-dodecadienyl]-5-methyl-1,4-benzoquinone
Synonyms: 2-[(2E,6E)-3,7,11-Trimethyl-9-oxo-2,6-dodecadienyl]-5-methyl-1,4-benzoquinone
CAS Registry Number:
InChI: InChI=1S/C22H30O3/c1-15(2)11-20(23)12-17(4)8-6-7-16(3)9-10-19-14-21(24)18(5)13-22(19)25/h8-9,13-15H,6-7,10-12H2,1-5H3/b16-9+,17-8+
InChIKey: InChIKey=QJFVGCOOBWZFDL-AAZCYQLISA-N
Formula: C22H30O3
Molecular Weight: 342.472627
Exact Mass: 342.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - McPhail, K.L., Davies-Coleman, M.T., Starmer, J. J Nat Prod (2001) 64, 1183-90
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Farnesanes; 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) | 27.1 |
| 2 (CH) | 118.3 |
| 3 (C) | 139.5 |
| 4 (CH2) | 39.2 |
| 5 (CH2) | 26.5 |
| 6 (CH) | 128.9 |
| 7 (C) | 129.4 |
| 8 (CH2) | 54.3 |
| 9 (C) | 209.3 |
| 10 (CH2) | 50.7 |
| 11 (CH) | 24.4 |
| 12 (CH3) | 22.5 |
| 13 (CH3) | 22.5 |
| 14 (CH3) | 16.4 |
| 15 (CH3) | 16 |
| 1' (C) | 187.8 |
| 2' (C) | 148.4 |
| 3' (CH) | 132.3 |
| 4' (C) | 188.3 |
| 5' (C) | 145.6 |
| 6' (CH) | 133.5 |
| 7' (CH3) | 15.4 |
