Complete 1H NMR assignment of cedranolides

被引：11
|
作者：
Perez-Hernandez, Nury [2 ]
Gordillo-Roman, Barbara [1 ]
Arrieta-Baez, Daniel [3 ]
Cerda-Garcia-Rojas, Carlos M. [1 ]
Joseph-Nathan, Pedro [1 ]
机构：
[1] Inst Politecn Nacl, Ctr Invest & Estud Avanzados, Dept Quim, Apartado 14-740, Mexico City 07000, DF, Mexico
[2] Inst Politecn Nacl, Escuela Nacl Med & Homeopatia, Guillermo Massieu Helguera 239, Mexico City 07320, DF, Mexico
[3] Inst Politecn Nacl, Ctr Nanociencias & Micro & Nanotecnol, Mexico City 07738, DF, Mexico
来源：
MAGNETIC RESONANCE IN CHEMISTRY | 2017年 / 55卷 / 03期
关键词：
cedrane derivatives; iterative H-1 NMR analysis; PERCH spin-spin simulation; conformational behavior; H-1-H-1 coupling constants; CBS-4M method; SET MODEL CHEMISTRY; BARK SAPWOOD; NMR-SPECTRA; CEDROL; CYCLOADDITIONS; HEARTWOOD; LEAVES;
D O I：
10.1002/mrc.4246
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Complete and unambiguous H-1 NMR chemical shift assignment of alpha-cedrene (2) and cedrol (9), as well as for alpha-pipitzol (1), isocedrol (10), and the six related compounds 3-8 has been established by iterative full spin analysis using the PERCH NMR software (PERCH Solutions Ltd., Kuopio, Finland). The total sets of coupling constants are described and correlated with the conformational equilibria of the five-membered ring of 1-10, which were calculated using the complete basis set method. Copyright (c) 2015 John Wiley & Sons, Ltd.
引用
收藏
页码：169 / 176
页数：8
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