5-Ethoxy-3-[(3E,7E)-10-(2,6,6-trimethyl-1-cyclohexenyl)-4,8-dimethyl-3,7-decadienyl]furan-2(5H)-one

5-Ethoxy-3-[(3E,7E)-10-(2,6,6-trimethyl-1-cyclohexenyl)-4,8-dimethyl-3,7-decadienyl]furan-2(5H)-one

Common Name: 5-Ethoxy-3-[(3E,7E)-10-(2,6,6-trimethyl-1-cyclohexenyl)-4,8-dimethyl-3,7-decadienyl]furan-2(5H)-one

Synonyms: 5-Ethoxy-3-[(3E,7E)-10-(2,6,6-trimethyl-1-cyclohexenyl)-4,8-dimethyl-3,7-decadienyl]furan-2(5H)-one

CAS Registry Number:

InChI: InChI=1S/C27H42O3/c1-7-29-25-19-23(26(28)30-25)15-9-13-20(2)11-8-12-21(3)16-17-24-22(4)14-10-18-27(24,5)6/h12-13,19,25H,7-11,14-18H2,1-6H3/b20-13+,21-12+

InChIKey: InChIKey=FYOPGZBGCKUNEK-KVDUHBSMSA-N

Formula: C27H42O3

Molecular Weight: 414.621596

Exact Mass: 414.313395

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kirsch, G., Kong, G.M., Wright, A.D., Kaminsky, R. J Nat Prod (2000) 63, 825-9

Species:

Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Monocarbocyclics; 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 (CH) 101.5
2 (CH) 142.2
3 (C) 138.1
4 (CH2) 25.5
5 (CH2) 25.4
6 (CH) 122.4
7 (C) 137
8 (CH2) 39.7
9 (CH2) 26.6
10 (CH) 123.4
11 (C) 136.2
12 (CH2) 40.3
13 (CH2) 28
14 (C) 137.2
15 (C) 126.9
16 (CH2) 32.8
17 (CH2) 19.6
18 (CH2) 39.9
19 (C) 35
20 (CH3) 28.6
21 (CH3) 28.6
22 (CH3) 19.8
23 (CH3) 16
24 (CH3) 16.1
25 (C) 171.5
1a (CH2) 65.8
1b (CH3) 15.1