Computational chemistry driven solution to rubriflordilactone B

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dc.creator Grimblat, Nicolás
dc.creator Kaufman, Teodoro Saúl
dc.creator Sarotti, Ariel Marcelo
dc.date.accessioned 2018-02-03T23:06:04Z
dc.date.available 2018-02-03T23:06:04Z
dc.date.issued 2016-12-08
dc.identifier.issn 1523-7060 es
dc.identifier.uri http://hdl.handle.net/2133/10492
dc.description The structure of rubriflordilactone B (2) was determined by X-ray crystallography. However, the NMR data of the synthetic sample did not match those reported for 2. It was then suggested that the original sample contained an additional isomer of different solubility, pseudorubriflordilactone B (3), whose structure remained unknown. From theoretical calculations, reexamination of the NMR data, and biogenetic considerations, it is proposed that 3 should be the 16S,17R isomer of 2. es
dc.description.sponsorship Agencia Nacional de Promoción Científica y Tecnológica (ANPCyT), PICT 2012-0970 y PICT 2014-0445 es
dc.description.sponsorship Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), PIP 2012-0471 es
dc.format application/pdf
dc.format.extent 6420-6423 es
dc.language.iso eng es
dc.publisher American Chemical Society es
dc.rights openAccess es
dc.rights.uri http://creativecommons.org/licenses/by-nc-sa/2.5/ar/ *
dc.subject Rubriflordilactone B es
dc.subject X-ray Crystallography es
dc.subject Pseudorubriflordilactone B es
dc.subject 6S,17R es
dc.subject Computational Chemistry es
dc.title Computational chemistry driven solution to rubriflordilactone B es
dc.type article
dc.type artículo
dc.type publishedVersion
dc.rights.holder Universidad Nacional de Rosario es
dc.rights.holder American Chemical Society es
dc.rights.holder Grimblat, Nicolás es
dc.rights.holder Kaufman, Teodoro Saúl es
dc.rights.holder Sarotti, Ariel Marcelo es
dc.relation.publisherversion https://pubs.acs.org/doi/abs/10.1021/acs.orglett.6b03318 es
dc.relation.publisherversion http://dx.doi.org/doi:10.1021/acs.orglett.6b03318 es
dc.citation.title Organic Letters es
dc.citation.volume 18(24) es
dc.description.fil Fil: Grimblat, Nicolás. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario (IQUIR, CONICET); Argentina. es
dc.description.fil Fil: Kaufman, Teodoro Saúl. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario (IQUIR, CONICET); Argentina.
dc.description.fil Fil: Sarotti, Ariel Marcelo. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario (IQUIR, CONICET); Argentina.
dc.type.collection articulo
dc.type.version publishedVersion es


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