Spektraris NMR
2-(3,7-dimethylocta-2,6-dien-1-yl)-6-methylbenzo-1,4-quinone
Common Name: 2-(3,7-dimethylocta-2,6-dien-1-yl)-6-methylbenzo-1,4-quinone
Synonyms: 2-(3,7-dimethylocta-2,6-dien-1-yl)-6-methylbenzo-1,4-quinone
CAS Registry Number:
InChI: InChI=1S/C17H22O2/c1-12(2)6-5-7-13(3)8-9-15-11-16(18)10-14(4)17(15)19/h6,8,10-11H,5,7,9H2,1-4H3/b13-8+
InChIKey: InChIKey=VDDALGSXMJYSIM-MDWZMJQESA-N
Formula: C17H22O2
Molecular Weight: 258.356017
Exact Mass: 258.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Resch, M., Steigel, A., Chen, Z.L., Bauer, R. J Nat Prod (1998) 61, 347-50
Species:
Notes: Family : Terpenoids, Type : Meromonoterpenoids, Group : Dimethyloctanes; 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) | 27.5 |
| 2 (CH) | 118 |
| 3 (C) | 139.9 |
| 4 (CH2) | 39.6 |
| 5 (CH2) | 26.4 |
| 6 (CH) | 123.9 |
| 7 (C) | 131.8 |
| 8 (CH3) | 25.7 |
| 9 (CH3) | 17.7 |
| 10 (CH3) | 16.1 |
| 1' (C) | 132.3 |
| 2' (C) | 188 |
| 3' (C) | 133.2 |
| 4' (CH) | 145.9 |
| 5' (C) | 188.1 |
| 6' (CH) | 148.5 |
| 3'a (CH3) | 16 |
