| Title: | "Ab initio calculations on (Z)-5-decenyl acetate, a component of the pheromone complex of Agrotis segetum (Lepidoptera: Noctuidae) and electrophysiological studies with chain elongated analogues" |
| Author(s): | Bestmann HJ; Roth KD; Rehefeld C; Leinemann B; Kern F; Vostrowsky O; |
| Address: | "Organic Chemistry Institute, University Erlangen-Nurnberg, Germany" |
| DOI: | 10.1016/0968-0896(96)00028-4 |
| ISSN/ISBN: | 0968-0896 (Print) 0968-0896 (Linking) |
| Abstract: | "Conformational analyses of (Z)-5-decenylacetate, a sex pheromone component of the turnip moth, Agrotis segetum, and double unsaturated pheromone analogues 4 and 5 have been performed by ab initio calculations using Gaussian 92. Two minima were found for a cisoid and a transoid conformer, differing for 0.03 kcal/mol only. Conformational energies of diene analogues (5Z,7E)-5,7-decadienyl acetate (4) and (3E,5Z)-3,5,-decadienyl acetate (5) were determined for conformers required to mimic spatial relationships of the cisoid conformation of the natural pheromone 2. Finally, single sensillum recording studies were carried out with chain elongated C11- to C16-pheromone analogues 6" |
| Keywords: | "Acetates/*chemistry Action Potentials Animals Electrophysiology Models, Molecular Moths/*chemistry Sex Attractants/*chemistry Structure-Activity Relationship;" |
| Notes: | "MedlineBestmann, H J Roth, K D Rehefeld, C Leinemann, B Kern, F Vostrowsky, O eng England 1996/03/01 Bioorg Med Chem. 1996 Mar; 4(3):473-7. doi: 10.1016/0968-0896(96)00028-4" |
