Literature DB >> 18925785

Density functional theory calculation of 13C NMR shifts of diazaphenanthrene alkaloids: reinvestigation of the structure of samoquasine A.

Cody Timmons1, Peter Wipf.   

Abstract

The (13)C NMR shifts of 48 diazaphenanthrene-type alkaloids have been calculated at the B3LYP/6-311+G(2d,p) level of theory. The results support the structural reassignment of samoquasine A as 2.

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Year:  2008        PMID： 18925785     DOI： 10.1021/jo801735e

Source DB:  PubMed          Journal:  J Org Chem        ISSN： 0022-3263            Impact factor:   4.354


  4 in total

1.  Case study of empirical and computational chemical shift analyses: reassignment of the relative configuration of phomopsichalasin to that of diaporthichalasin.

Authors:  Susan G Brown; Matthew J Jansma; Thomas R Hoye
Journal:  J Nat Prod       Date:  2012-06-25       Impact factor: 4.050

2.  Facile Route to Tetrasubstituted Pyrazoles Utilizing Ceric Ammonium Nitrate.

Authors:  James J Devery; Pramod K Mohanta; Brian M Casey; Robert A Flowers
Journal:  Synlett       Date:  2009       Impact factor: 2.454

3.  Addressing the stereochemistry of complex organic molecules by density functional theory-NMR: vannusal B in retrospective.

Authors:  Giacomo Saielli; K C Nicolaou; Adrian Ortiz; Hongjun Zhang; Alessandro Bagno
Journal:  J Am Chem Soc       Date:  2011-03-25       Impact factor: 15.419

4.  A novel benzo[f][1,7]naphthyridine produced by Streptomyces albogriseolus from mangrove sediments.

Authors:  Xiao-Ling Li; Min-Juan Xu; Yi-Lei Zhao; Jun Xu
Journal:  Molecules       Date:  2010-12-15       Impact factor: 4.411
  4 in total

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