Spektraris NMR
(5E,9E,13Z)-6,10,14-Trimethyl-15-hydroxy-5,9,13-pentadecatriene-2-one
Common Name: (5E,9E,13Z)-6,10,14-Trimethyl-15-hydroxy-5,9,13-pentadecatriene-2-one
Synonyms: (5E,9E,13Z)-6,10,14-Trimethyl-15-hydroxy-5,9,13-pentadecatriene-2-one
CAS Registry Number:
InChI: InChI=1S/C18H30O2/c1-15(10-6-12-17(3)14-19)8-5-9-16(2)11-7-13-18(4)20/h8,11-12,19H,5-7,9-10,13-14H2,1-4H3/b15-8+,16-11+,17-12-
InChIKey: InChIKey=BCMCYUUFPFCEKN-GVGVLJMYSA-N
Formula: C18H30O2
Molecular Weight: 278.430279
Exact Mass: 278.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reddy, P., Urban, S. J Nat Prod (2008) 71, 1441-6
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) | 30.2 |
| 2 (C) | 209.3 |
| 3 (CH2) | 44.1 |
| 4 (CH2) | 22.6 |
| 5 (CH) | 122.9 |
| 6 (C) | 136.7 |
| 7 (CH2) | 39.9 |
| 8 (CH2) | 26.7 |
| 9 (CH) | 124.9 |
| 10 (C) | 135.1 |
| 11 (CH2) | 39.9 |
| 12 (CH2) | 26.5 |
| 13 (CH) | 128.6 |
| 14 (C) | 134.6 |
| 15 (CH3) | 21.6 |
| 16 (CH2) | 61.8 |
| 17 (CH3) | 16.3 |
| 18 (CH3) | 16.2 |
