首页 | 本学科首页   官方微博 | 高级检索  
     


Solution conformation of longifolene and its precursor by NMR and ab initio calculations
Authors:Subramaniam Gopal  Karimi Sasan  Phillips David
Affiliation:Department of Chemistry and Biochemistry, Queens College of CUNY, Flushing, NY 11367, USA. gopal.subramaniam@qc.cuny.edu
Abstract:We describe the conformation and stereospecific 1H and 13C chemical shift assignments of longifolene 1 and its penultimate precursor 2 through the combined use of ab initio calculations and experimental NMR techniques. The predicted stable conformation for both compounds was similar and adopts a twisted chair conformation at the seven-membered ring where C4 lies on top of the exocyclic double bond. The calculated chemical shifts for the stable conformation agree well with the experimental values.
Keywords:NMR  1H  13C  longifolene  conformation  shielding  deshielding  Hartree‐Fock calculations
本文献已被 PubMed 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号