1H chemical shift differences of Prelog–Djerassi lactone derivatives: DFT and NMR conformational studies-Reference-Cited by-同舟云学术

1H chemical shift differences of Prelog–Djerassi lactone derivatives: DFT and NMR conformational studies

Published:2015 Issue:7 Volume:13 Page:2140-2145
ISSN:1477-0520
Container-title:Organic & Biomolecular Chemistry
language:en
Short-container-title:Org. Biomol. Chem.

Author:

Aímola Túlio J.¹²³⁴⁵,Lima Dimas J. P.⁶⁷⁵⁸⁹,Dias Luiz C.⁶⁷⁵,Tormena Cláudio F.⁶⁷⁵,Ferreira Marco A. B.¹²³⁴⁵

Affiliation:

1. Laboratório de Química Bio-orgânica e Laboratório de Cristalografia

2. Estereodinâmica e Modelagem Molecular

3. Universidade Federal de São Carlos

4. São Carlos

5. Brazil

6. Universidade Federal de Alagoas

7. Maceió

8. Chemistry Institute

9. State University of Campinas

Abstract

This work reports an experimental and theoretical study of the conformational preferences of several Prelog–Djerassi lactone derivatives, to elucidate the¹H NMR chemical shift differences in the lactonic core that are associated with the relative stereochemistry of these derivatives.

Funder

SÃ£o Paulo Research Foundation

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/OB/C4OB02446J

Reference47 articles.

1. Quantum Mechanical Calculation of NMR Parameters in the Stereostructural Determination of Natural Products

2. Computational Prediction of 1H and 13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry