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Structure Reassignment of Laurefurenynes A and B by Computation and Total Synthesis
Author(s) -
Shepherd David J.,
Broadwith Phillip A.,
Dyson Bryony S.,
Paton Robert S.,
Burton Jonathan W.
Publication year - 2013
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201302349
Subject(s) - total synthesis , computation , chemistry , stereochemistry , basis (linear algebra) , computational chemistry , mathematics , algorithm , geometry
The originally assigned stereostructures of laurefurenynes A and B have been reassigned on the basis of DFT calculations of NMR chemical shifts, synthesis of model compounds and total synthesis of laurefurenyne B, demonstrating the power of this combined approach for stereostructure elucidation/confirmation (see scheme).