Spektraris NMR
(5E)-3,7,11-Trimethyl-10-acetoxy-1,5,11-dodecatriene-3,7-diol
Common Name: (5E)-3,7,11-Trimethyl-10-acetoxy-1,5,11-dodecatriene-3,7-diol
Synonyms: (5E)-3,7,11-Trimethyl-10-acetoxy-1,5,11-dodecatriene-3,7-diol
CAS Registry Number:
InChI: InChI=1S/C17H28O4/c1-7-16(5,19)10-8-11-17(6,20)12-9-15(13(2)3)21-14(4)18/h7-8,11,15,19-20H,1-2,9-10,12H2,3-6H3/b11-8+
InChIKey: InChIKey=VUYGYGVRRRWIRQ-DHZHZOJOSA-N
Formula: C17H28O4
Molecular Weight: 296.402471
Exact Mass: 296.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Triana, J., Eiroa, J.L., Ortega, J.J., Leon, F., Brouard, I., Torres, F., Quintana, J., Estevez, F., Bermejo, J. J Nat Prod (2008) 71, 2015-20
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) | 111.97 |
| 2 (CH) | 144.68 |
| 3 (C) | 72.58 |
| 4 (CH2) | 45.09 |
| 5 (CH) | 122.87 |
| 6 (CH) | 140.91 |
| 7 (C) | 72.44 |
| 8 (CH2) | 37.76 |
| 9 (CH2) | 27.07 |
| 10 (CH) | 77.4 |
| 11 (C) | 142.81 |
| 12 (CH2) | 112.9 |
| 13 (CH3) | 18 |
| 14 (CH3) | 27.4 |
| 15 (CH3) | 28.46 |
| 10a (C) | 170.31 |
| 10b (CH3) | 21.2 |
