Application of a computer-assisted structure elucidation program for the structural determination of a new terpenoid aldehyde with an unusual skeleton.

Autor: Li XN; College of Pharmaceutical Science, Zhejiang University of Technology, Hangzhou, 310014, China.; Food Composition and Methods Development Laboratory, Beltsville Human Nutrition Research Center, Agricultural Research Service, US Department of Agriculture, Beltsville, MD 20705, USA., Ridge CD; Office of Regulatory Science, Center for Food Safety and Applied Nutrition, US Food and Drug Administration, College Park, MD 20740, USA., Mazzola EP; Department of Chemistry and Biochemistry, University of Maryland, College Park, MD 20742, USA., Sun J; Food Composition and Methods Development Laboratory, Beltsville Human Nutrition Research Center, Agricultural Research Service, US Department of Agriculture, Beltsville, MD 20705, USA., Gutierrez O; Department of Chemistry and Biochemistry, University of Maryland, College Park, MD 20742, USA., Moser A; Toronto Department, Advanced Chemistry Development Inc. (ACD/Labs), Toronto, Ontario M5C 1B5, Canada., DiMartino JC; Toronto Department, Advanced Chemistry Development Inc. (ACD/Labs), Toronto, Ontario M5C 1B5, Canada., MacDonald SA; Toronto Department, Advanced Chemistry Development Inc. (ACD/Labs), Toronto, Ontario M5C 1B5, Canada., Chen P; Food Composition and Methods Development Laboratory, Beltsville Human Nutrition Research Center, Agricultural Research Service, US Department of Agriculture, Beltsville, MD 20705, USA.

Publikováno v: Magnetic resonance in chemistry : MRC [Magn Reson Chem] 2017 Mar; Vol. 55 (3), pp. 210-213. Date of Electronic Publication: 2016 Jul 10.