Using quantum chemical computations of NMR chemical shifts to assign relative configurations of terpenes from an engineered Streptomyces host

Nguyen Q. Nhu N.; Tantillo Dean J.

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Using quantum chemical computations of NMR chemical shifts to assign relative configurations of terpenes from an engineered Streptomyces host

机译：使用NMR化学位移的量子化学计算来指定工程链霉菌宿主中萜烯的相对构型

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Density functional theory calculations of H-1 and C-13 chemical shifts are used to assign the relative configurations of isohirsut-1-ene, isohirsut-4-ene and tsukubadiene, three terpenes previously isolated from an engineered Streptomyces.

机译：H-1和C-13化学位移的密度泛函理论计算用于指定异hirusut-1-烯，isohirsut-4-烯和tsukubadiene的相对构型，这三个萜烯以前是从工程链霉菌中分离出来的。

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《The Journal of Antibiotics: An International Journal》 |2016年第7期|共7页
作者
Nguyen Q. Nhu N.; Tantillo Dean J.;
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正文语种 eng
中图分类药学;
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1. Using quantum chemical computations of NMR chemical shifts to assign relative configurations of terpenes from an engineered Streptomyces host [J] . Nguyen Q. Nhu N., Tantillo Dean J. The Journal of Antibiotics: An International Journal . 2016,第7期

机译：使用NMR化学位移的量子化学计算来指定工程链霉菌宿主中萜烯的相对构型
2. Cyclohexanecarbonitriles: Assigning Configurations at Quaternary Centers from~(13)CNMR CN Chemical Shifts [J] . Fraser F. Fleming, Guoqing Wei The Journal of Organic Chemistry . 2009,第9期

机译：环己烷腈：〜（13）CNMR CN化学位移在四级中心的构型
3. NMR and Computational Studies of the Configurational Properties of Spirodioxyselenuranes. Are Dynamic Exchange Processes or Temperature-Dependent Chemical Shifts Involved? [J] . David J. Press, Nicole M. R. McNeil, Arvi Rauk, The Journal of Organic Chemistry . 2012,第20期

机译：螺二氧硒硒脲的构型性质的核磁共振和计算研究。是否涉及动态交换过程或与温度有关的化学位移？
4. Quantum Chemical Calculation on 1H NMR Chemical Shifts of PMMA/PVPh Blends [C] . Weigui Fu, Li Chen, Baohui Li, International Conference on Advanced Measurement and Test . 2011

机译：Quantum Chemical Calce in PMMA / PVPH混合物的1H NMR化学换算
5. Insights from across the periodic table into NMR chemical shift, electric field gradient, and spin -spin coupling tensors: New information from solid-state NMR and computational chemistry [D] . Bryce, David Lawson 2002

机译：元素周期表中对NMR化学位移，电场梯度和自旋-自旋耦合张量的洞察：固态NMR和计算化学的新信息
6. Cyclohexanecarbonitriles: Assigning Configurations at Quaternary Centers From 13C NMR CN Chemical Shifts. [O] . Fraser F. Fleming, Guoqing Wei -1

机译：Cyclohexanecarbonitriles：在第四纪中心从13C NmR CN化学位移勘定配置。
7. Case Study of Empirical and Computational Chemical Shift Analyses: Reassignment of the Relative Configuration of Phomopsichalasin to That of Diaporthichalasin [O] . Susan G. Brown, Matthew J. Jansma, Thomas R. Hoye 2012

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Using quantum chemical computations of NMR chemical shifts to assign relative configurations of terpenes from an engineered Streptomyces host

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