(7E,9E)-2,6,10-Trimethyl-7,9,11-dodecatriene-4-one

(7E,9E)-2,6,10-Trimethyl-7,9,11-dodecatriene-4-one

Common Name: (7E,9E)-2,6,10-Trimethyl-7,9,11-dodecatriene-4-one

Synonyms: (7E,9E)-2,6,10-Trimethyl-7,9,11-dodecatriene-4-one

CAS Registry Number:

InChI: InChI=1S/C15H24O/c1-6-13(4)8-7-9-14(5)11-15(16)10-12(2)3/h6-9,12,14H,1,10-11H2,2-5H3/b9-7+,13-8+

InChIKey: InChIKey=AWGDIGKABLURJO-AVPQAVFTSA-N

Formula: C15H24O1

Molecular Weight: 220.351021

Exact Mass: 220.182715

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) 112.1
2 (CH) 141.2
3 (C) 134.1
4 (CH) 131.2
5 (CH) 125.2
6 (CH) 139.7
7 (CH) 32.9
8 (CH2) 50.2
9 (C) 209.8
10 (CH2) 52.5
11 (CH) 24.4
12 (CH3) 22.6
13 (CH3) 22.6
14 (CH3) 20.2
15 (CH3) 12