Methyl (E)-2-methyl-6-(4-methyl-cyclohexa-1,4-dienyl)hept-2-enoate

Methyl (E)-2-methyl-6-(4-methyl-cyclohexa-1,4-dienyl)hept-2-enoate

Common Name: Methyl (E)-2-methyl-6-(4-methyl-cyclohexa-1,4-dienyl)hept-2-enoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C16H24O2/c1-12-8-10-15(11-9-12)13(2)6-5-7-14(3)16(17)18-4/h7-8,11,13H,5-6,9-10H2,1-4H3/b14-7+/t13-/m1/s1

InChIKey: InChIKey=SHLNYIZZOWDHQN-PFLCFFIHSA-N

Formula: C16H24O2

Molecular Weight: 248.361162

Exact Mass: 248.17763

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Braun, N.A., Spitzner, D. Arkivoc (2007) 0, 273-9

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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
2 (CH) 118.7
3 (C) 131.6
4 (CH2) 31.8
5 (CH) 118.8
6 (C) 138.4
7 (CH) 40.6
8 (CH2) 33.8
9 (CH2) 26.6
10 (CH) 127.6
11 (C) 143.1
12 (C) 169
13 (CH3) 12.6
14 (CH3) 19.8
15 (CH3) 23.2
12a (CH3) 51.9