title: Structure reassignment of laurefurenynes A and B by computation and total synthesis.
abstract: 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.
authors: Department of Chemistry, University of Oxford, Chemistry Research Laboratory, Mansfield Road, Oxford, OX1 3TA (UK), Fax: (+44) 1223-336-362.
authors: David J
authors: DJ
authors: Shepherd
authors: Phillip A
authors: PA
authors: Broadwith
authors: Bryony S
authors: BS
authors: Dyson
authors: Robert S
authors: RS
authors: Paton
authors: Jonathan W
authors: JW
authors: Burton
mesh_terms: D001688:Biological Products / Q000138:chemical synthesis / Q000737:chemistry*; D002384:Catalysis; D004987:Ethers / Q000138:chemical synthesis / Q000737:chemistry; D005663:Furans / Q000138:chemical synthesis* / Q000737:chemistry; D044722:Laurencia / Q000737:chemistry / Q000378:metabolism; D009682:Magnetic Resonance Spectroscopy; D013237:Stereoisomerism
chemical_list: D001688:Biological Products; D004987:Ethers; D005663:Furans; C587663:laurefurenyne A; C587662:laurefurenyne B; C039281:furan
keywords: NMR spectroscopy; density functional calculations; natural products; structure determination; total synthesis
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