Spektraris NMR
(3E,5E,9E)-3,7,11-Trimethyl-8,11-diacetoxy-1,3,5,9-dodecatetrene
Common Name: (3E,5E,9E)-3,7,11-Trimethyl-8,11-diacetoxy-1,3,5,9-dodecatetrene
Synonyms: (3E,5E,9E)-3,7,11-Trimethyl-8,11-diacetoxy-1,3,5,9-dodecatetrene
CAS Registry Number:
InChI: InChI=1S/C19H28O4/c1-8-14(2)10-9-11-15(3)18(22-16(4)20)12-13-19(6,7)23-17(5)21/h8-13,15,18H,1H2,2-7H3/b11-9+,13-12+,14-10+
InChIKey: InChIKey=GYTQVGSRQSVLQM-SPNLDSMNSA-N
Formula: C19H28O4
Molecular Weight: 320.423943
Exact Mass: 320.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rueda, A., Zubia, E., Ortega, M.J., Salva, J. J Nat Prod (2001) 64, 401-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Farnesanes; 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) | 112.3 |
| 2 (CH) | 141.2 |
| 3 (C) | 134.2 |
| 4 (CH) | 131.2 |
| 5 (CH) | 127.5 |
| 6 (CH) | 135.7 |
| 7 (CH) | 41.4 |
| 8 (CH) | 77.2 |
| 9 (CH) | 124.6 |
| 10 (CH) | 138.2 |
| 11 (C) | 79.8 |
| 12 (CH3) | 26.8 |
| 13 (CH3) | 26.8 |
| 14 (CH3) | 15.8 |
| 15 (CH3) | 12 |
| 8a (C) | 169.8 |
| 8b (CH3) | 21.3 |
| 11a (C) | 170.2 |
| 11b (CH3) | 22.2 |
