通过 DFT 计算 NMR 位移和偶合常数对两种不寻常的瑞香烷二萜 curcusones I 和 J 进行结构修订。
Structural revision of two unusual rhamnofolane diterpenes, curcusones I and J, by means of DFT calculations of NMR shifts and coupling constants.
机构信息
Instituto de Química Rosario (CONICET), Facultad de Ciencias Bioquímicas y Farmacéuticas, Universidad Nacional de Rosario, Suipacha 531, Rosario 2000, Argentina.
出版信息
Org Biomol Chem. 2018 Feb 7;16(6):944-950. doi: 10.1039/c7ob02916k.
PMID:29337322
Abstract
The stereochemical revision of two recently reported rhamnofolane diterpenes, curcusones I and J, was enabled by quantum calculations of NMR shifts and coupling constants at DFT levels. DP4+ results and reexamination of the NMR data suggest that curcusones I and J should be revised as CS32 and CS28, respectively.
摘要
通过在 DFT 水平上对 NMR 位移和耦合常数进行量子计算，实现了最近报道的两种瑞香烷二萜 curcusones I 和 J 的立体化学修订。DP4+ 结果和对 NMR 数据的重新检查表明，curcusones I 和 J 应分别修订为 CS32 和 CS28。
Zotero 插件