(2E,6E)-3-Isopropyl-6-methyl-2,6-undecadiene-1,10-dione

(2E,6E)-3-Isopropyl-6-methyl-2,6-undecadiene-1,10-dione

Common Name: (2E,6E)-3-Isopropyl-6-methyl-2,6-undecadiene-1,10-dione

Synonyms: (2E,6E)-3-Isopropyl-6-methyl-2,6-undecadiene-1,10-dione

CAS Registry Number:

InChI: InChI=1S/C15H24O2/c1-12(2)15(10-11-16)9-8-13(3)6-5-7-14(4)17/h6,10-12H,5,7-9H2,1-4H3/b13-6+,15-10+

InChIKey: InChIKey=KBIOFGFPHRUMKO-ADEQXRJWSA-N

Formula: C15H24O2

Molecular Weight: 236.350426

Exact Mass: 236.17763

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Cheng, S.Y., Huang, Y.C., Wen, Z.H., Chiou, S.F., Wang, S.K., Hsu, C.H., Dai, C.F., Duh, C.Y. Tetrahedron Lett (2009) 50, 802-6

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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) 23.3
2 (CH) 123.6
3 (C) 133.6
4 (CH2) 41
5 (CH2) 30.5
6 (C) 170.2
7 (CH) 124.1
8 (CH) 189.5
9 (C) 206.1
10 (CH2) 44
11 (CH) 36.5
12 (CH3) 22.4
13 (CH3) 22.4
14 (CH3) 30.8
15 (CH3) 17.2