5-Methyl-2-[(2'E,7'Z)-3',7',11'-trimethyl-2',7'-dodecadien-9'-onyl]benzo-1,4-quinone

5-Methyl-2-[(2'E,7'Z)-3',7',11'-trimethyl-2',7'-dodecadien-9'-onyl]benzo-1,4-quinone

Common Name: 5-Methyl-2-[(2'E,7'Z)-3',7',11'-trimethyl-2',7'-dodecadien-9'-onyl]benzo-1,4-quinone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O3/c1-15(2)11-20(23)12-17(4)8-6-7-16(3)9-10-19-14-21(24)18(5)13-22(19)25/h9,12-15H,6-8,10-11H2,1-5H3/b16-9+,17-12-

InChIKey: InChIKey=VSBOBRKRXJJIHU-QYAHGZNPSA-N

Formula: C22H30O3

Molecular Weight: 342.472627

Exact Mass: 342.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - McPhail, K.L., Davies-Coleman, M.T., Starmer, J. J Nat Prod (2001) 64, 1183-90

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) 27.1
2 (CH) 118
3 (C) 139.8
4 (CH2) 39.7
5 (CH2) 26.5
6 (CH2) 33.5
7 (C) 158.6
8 (CH) 124.3
9 (C) 200.6
10 (CH2) 53.5
11 (CH) 25.1
12 (CH3) 22.7
13 (CH3) 22.7
14 (CH3) 25.5
15 (CH3) 16.1
1' (C) 187.8
2' (C) 148.5
3' (CH) 132.4
4' (C) 188.4
5' (C) 145.6
6' (CH) 133.5
7' (CH3) 15.4