Spektraris NMR
(5E,9E,13R)-6,10,14-Trimethyl-13,14-dihydroxy-5,9-pentadecadiene-2-one
Common Name: (5E,9E,13R)-6,10,14-Trimethyl-13,14-dihydroxy-5,9-pentadecadiene-2-one
Synonyms: (5E,9E,13R)-6,10,14-Trimethyl-13,14-dihydroxy-5,9-pentadecadiene-2-one
CAS Registry Number:
InChI: InChI=1S/C18H32O3/c1-14(10-7-11-16(3)19)8-6-9-15(2)12-13-17(20)18(4,5)21/h9-10,17,20-21H,6-8,11-13H2,1-5H3/b14-10+,15-9+/t17-/m1/s1
InChIKey: InChIKey=ANMUQNHDGYFRPB-VRJBOTSMSA-N
Formula: C18H32O3
Molecular Weight: 296.445565
Exact Mass: 296.235145
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) | 29.9 |
| 2 (C) | 209.2 |
| 3 (CH2) | 43.7 |
| 4 (CH2) | 22.4 |
| 5 (CH) | 122.8 |
| 6 (C) | 136.1 |
| 7 (CH2) | 39.5 |
| 8 (CH2) | 26.4 |
| 9 (CH) | 124.8 |
| 10 (C) | 134.9 |
| 11 (CH2) | 36.7 |
| 12 (CH2) | 29.6 |
| 13 (CH) | 78.1 |
| 14 (C) | 72.9 |
| 15 (CH3) | 26.3 |
| 16 (CH3) | 23.3 |
| 17 (CH3) | 15.9 |
| 18 (CH3) | 15.9 |
