Title: | Conformational analyses of periplanone analogs by molecular mechanics calculations |
Author(s): | Shimazaki K; Mori M; Okada K; Chuman T; Goto H; Osawa E; Sakakibara K; Hirota M; |
Address: | "Life Science Research Laboratory, Japan Tobacco Inc., 6-2 Umegaoka, Midori-ku Yokohama, 227, Kanagawa, Japan" |
ISSN/ISBN: | 0098-0331 (Print) 0098-0331 (Linking) |
Abstract: | "Conformational parameters of pheromonally active analogs (1 and 2) of periplanones, the sex pheromones of the American cockroach, were investigated by molecular mechanics calculations. They existed in several conformers with small energy differences. These results were supported by NMR analysis. The structural features of the conformers of the analogs were compared with X-ray structures of periplanones" |
Notes: | "PubMed-not-MEDLINEShimazaki, K Mori, M Okada, K Chuman, T Goto, H Osawa, E Sakakibara, K Hirota, M eng 1991/04/01 J Chem Ecol. 1991 Apr; 17(4):779-88. doi: 10.1007/BF00994200" |