Software-assisted methodology for complete assignment of 1H and 13C NMR data of poorly functionalized molecules: The case of the chemical marker diterpene ent‑copalic acid.

Alexsandro Euripedes Ferreira, Ana Carolina Ferreira Soares Rocha,Jairo Kenupp Bastos,Vladimir Constantino Gomes Heleno

Journal of Molecular Structure（2021）

引用 4|浏览5

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摘要

•Complete NMR assignment of poorly functionalized molecules.•Total clarification of hydrogen NMR signals: multiplicity and j values.•Use of software to prove reliability of j values.•First clarification of several distorted and overlapped NMR signals.

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关键词

FOMSC3_rm_NB,NMR_MultSim,Diterpenes,Copalic acid,NMR assignments

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