DFT/NMR Approach for the Configuration Assignment of Groups of Stereoisomers by the Combination and Comparison of Experimental and Predicted Sets of Data-Reference-Cited by-同舟云学术

DFT/NMR Approach for the Configuration Assignment of Groups of Stereoisomers by the Combination and Comparison of Experimental and Predicted Sets of Data

Published:2020-01-21 Issue:5 Volume:85 Page:3297-3306
ISSN:0022-3263
Container-title:The Journal of Organic Chemistry
language:en
Short-container-title:J. Org. Chem.

Author:

Lauro Gianluigi¹^ORCID,Das Pronay²³,Riccio Raffaele¹,Reddy D. Srinivasa²³^ORCID,Bifulco Giuseppe¹^ORCID

Affiliation:

1. Department of Pharmacy, University of Salerno, Via Giovanni Paolo II 132, Fisciano 84084, Italy

2. Organic Chemistry Division, CSIR-National Chemical Laboratory, Dr. Homi Bhabha Road, Pune 411008, India

3. Academy of Scientific and Innovative Research (AcSIR), New Delhi 110025, India

Funder

University Grants Commission

Science and Engineering Research Board

Ministero dell?Istruzione, dell?Universit? e della Ricerca

Publisher

American Chemical Society (ACS)

Subject

Organic Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.joc.9b03129

Reference35 articles.

1. Determination of Relative Configuration in Organic Compounds by NMR Spectroscopy and Computational Methods

2. The Assignment of Absolute Configuration by NMR

3. Conformational analysis of small molecules: NMR and quantum mechanics calculations

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

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

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