Spektraris NMR
(5E,9E,13R)-6,10,14-Trimethyl-13-hydroxy-14-methoxy-5,9-pentadecadiene-2-one
Common Name: (5E,9E,13R)-6,10,14-Trimethyl-13-hydroxy-14-methoxy-5,9-pentadecadiene-2-one
Synonyms: (5E,9E,13R)-6,10,14-Trimethyl-13-hydroxy-14-methoxy-5,9-pentadecadiene-2-one
CAS Registry Number:
InChI: InChI=1S/C19H34O3/c1-15(11-8-12-17(3)20)9-7-10-16(2)13-14-18(21)19(4,5)22-6/h10-11,18,21H,7-9,12-14H2,1-6H3/b15-11+,16-10+/t18-/m1/s1
InChIKey: InChIKey=HMWOJWOBZVLXGN-CCPODNGTSA-N
Formula: C19H34O3
Molecular Weight: 310.472182
Exact Mass: 310.250795
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) | 30.4 |
| 2 (C) | 209.1 |
| 3 (CH2) | 43.8 |
| 4 (CH2) | 22.8 |
| 5 (CH) | 122.7 |
| 6 (C) | 136.6 |
| 7 (CH2) | 39.8 |
| 8 (CH2) | 26.8 |
| 9 (CH) | 124.7 |
| 10 (C) | 135.4 |
| 11 (CH2) | 37 |
| 12 (CH2) | 29.9 |
| 13 (CH) | 76.6 |
| 14 (C) | 77.6 |
| 15 (CH3) | 21.2 |
| 16 (CH3) | 19 |
| 17 (CH3) | 16.3 |
| 18 (CH3) | 16.3 |
| 14a (CH3) | 49.3 |
