Spektraris NMR
9-(3-Furyl)-6-methyl-2-(4-methyl-3-pentenyl)-2,6-nonadienoic acid
Common Name: 9-(3-Furyl)-6-methyl-2-(4-methyl-3-pentenyl)-2,6-nonadienoic acid
Synonyms: 9-(3-Furyl)-6-methyl-2-(4-methyl-3-pentenyl)-2,6-nonadienoic acid
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-16(2)7-4-11-19(20(21)22)12-6-9-17(3)8-5-10-18-13-14-23-15-18/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,21,22)/b17-8+,19-12-
InChIKey: InChIKey=UKHQJOTZHQQZBX-BAOHTXIFSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lima, M.A.S., Silveira, E.R., Marques, M.S.L., Santos, R.H.A., Gambardela, M.T.P. Phytochemistry (1996) 41, 217-23
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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 (CH3) | 25.6 |
| 2 (C) | 130.7 |
| 3 (CH) | 123.5 |
| 4 (CH2) | 28.1 |
| 5 (CH2) | 34.5 |
| 6 (C) | 132.2 |
| 7 (CH) | 145.7 |
| 8 (CH2) | 27.9 |
| 9 (CH2) | 39 |
| 10 (C) | 134.8 |
| 11 (CH) | 124.5 |
| 12 (CH2) | 25 |
| 13 (CH2) | 28.4 |
| 14 (C) | 124.9 |
| 15 (CH) | 111 |
| 16 (CH) | 138.8 |
| 17 (CH) | 142.5 |
| 18 (CH3) | 15.9 |
| 19 (C) | 173.8 |
| 20 (CH3) | 17.7 |
