In Silico Reassignment of (+)-Diplopyrone by NMR Calculations: Use of a DP4/J-DP4/DP4+/DIP Tandem to Revise Both Relative and Absolute Configuration-Reference-Cited by-同舟云学术

In Silico Reassignment of (+)-Diplopyrone by NMR Calculations: Use of a DP4/J-DP4/DP4+/DIP Tandem to Revise Both Relative and Absolute Configuration

Published:2020-08-10 Issue:17 Volume:85 Page:11566-11570
ISSN:0022-3263
Container-title:The Journal of Organic Chemistry
language:en
Short-container-title:J. Org. Chem.

Author:

Sarotti Ariel M.¹^ORCID

Affiliation:

1. Instituto de Quı́mica Rosario (CONICET), Facultad de Ciencias Bioquı́micas y Farmacéuticas, Universidad Nacional de Rosario, Suipacha 531, 2000 Rosario, Argentina

Funder

Universidad Nacional de Rosario

Agencia Nacional de Promoci?n Cient?fica y Tecnol?gica

Publisher

American Chemical Society (ACS)

Subject

Organic Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.joc.0c01563

Reference32 articles.

1. Chasing Molecules That Were Never There: Misassigned Natural Products and the Role of Chemical Synthesis in Modern Structure Elucidation

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

3. Computational Chemistry to the Rescue: Modern Toolboxes for the Assignment of Complex Molecules by GIAO NMR Calculations

4. Elucidating the Relative and Absolute Configuration of Organic Compounds by Quantum Mechanical Approaches

5. Addressing Stereochemistry of Heterocyclic Compounds by DFT NMR Calculations

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