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Updated: May 22, 2025

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
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Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

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对Cryptolepis化合物的计算NMR研究:Cryptospirolepine的结构错误分配是否可以避免?

Valentin A Semenov1, Leonid B Krivdin1, Gary E Martin2

  • 1A.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St. 1, 664033 Irkutsk, Russia.

International journal of molecular sciences
|March 13, 2025
PubMed
概括

现代计算方法准确地预测了复杂化物的核磁共振 (NMR) 化学转移. 本研究验证了用于识别结构错位和预测自然产品化学中的NMR数据的计算方法.

关键词:
在13C NMR中.这是Cryptolepis的化物.DFT计算的计算方法这种药物是cryptospirolepine.

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