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Structural Reassignment of Obtusallenes V, VI, and VII by GIAO-Based Density Functional Prediction

D. Christopher Braddock and Henry S. Rzepa*

Department of Chemistry, Imperial College London, London SW7 2AZ, U.K.

J. Nat. Prod., 2008, 71 (4), pp 728–730

DOI: 10.1021/np0705918

Publication Date (Web): February 23, 2008

* Corresponding author. Tel: +44 207 5945771 . E-mail: h.rzepa@imperial.ac.uk.

Revised structures proposed previously for obtusallenes V−VII (5–7) have been confirmed on the basis of computed GIAO-DFT ¹³C NMR chemical shifts.

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