Absolute configuration assignment of an unusual homoisoflavanone from Polygonum ferrugineum using a combination of chiroptical methods

Autores
Batista Jr., João Marcos; Wang, Bo; Castelli, Maria Victoria; Blanch, Ewan W.; López, Silvia Noelí
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The absolute configuration of the homoisoflavanone 5,7-dihydroxy-6-methoxy-3-(9-hydroxy-phenylmethyl)-chroman-4-one (1), found in Polygonum species, has been determined as 3R,9R by using a combination of electronic and vibrational chiroptical spectroscopic methods. The experimental spectra were interpreted with the aid of density functional theory calculations. The risks of relying upon a single method for stereochemical characterization of natural products are discussed.
Fil: Batista Jr., João Marcos. Universidade Federal do Sao Carlos; Brasil
Fil: Wang, Bo. BioTools; Estados Unidos
Fil: Castelli, Maria Victoria. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Orgánica. Area Farmacognosia; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Cientifico Tecnológico Rosario; Argentina
Fil: Blanch, Ewan W.. Royal Melbourne Institute of Technology; Australia
Fil: López, Silvia Noelí. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Orgánica. Area Farmacognosia; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Cientifico Tecnológico Rosario; Argentina
Materia
Ecd
Vcd
Dft
Roa
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/13403
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Absolute configuration assignment of an unusual homoisoflavanone from Polygonum ferrugineum using a combination of chiroptical methodsBatista Jr., João MarcosWang, BoCastelli, Maria VictoriaBlanch, Ewan W.López, Silvia NoelíEcdVcdDftRoahttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The absolute configuration of the homoisoflavanone 5,7-dihydroxy-6-methoxy-3-(9-hydroxy-phenylmethyl)-chroman-4-one (1), found in Polygonum species, has been determined as 3R,9R by using a combination of electronic and vibrational chiroptical spectroscopic methods. The experimental spectra were interpreted with the aid of density functional theory calculations. The risks of relying upon a single method for stereochemical characterization of natural products are discussed.Fil: Batista Jr., João Marcos. Universidade Federal do Sao Carlos; BrasilFil: Wang, Bo. BioTools; Estados UnidosFil: Castelli, Maria Victoria. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Orgánica. Area Farmacognosia; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Cientifico Tecnológico Rosario; ArgentinaFil: Blanch, Ewan W.. Royal Melbourne Institute of Technology; AustraliaFil: López, Silvia Noelí. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Orgánica. Area Farmacognosia; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Cientifico Tecnológico Rosario; ArgentinaElsevier2015-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/13403Batista Jr., João Marcos; Wang, Bo; Castelli, Maria Victoria; Blanch, Ewan W.; López, Silvia Noelí; Absolute configuration assignment of an unusual homoisoflavanone from Polygonum ferrugineum using a combination of chiroptical methods; Elsevier; Tetrahedron Letters; 56; 44; 10-2015; 6142-61440040-4039enginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.tetlet.2015.09.102info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0040403915301441info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:33:38Zoai:ri.conicet.gov.ar:11336/13403instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 10:33:38.621CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Absolute configuration assignment of an unusual homoisoflavanone from Polygonum ferrugineum using a combination of chiroptical methods
title Absolute configuration assignment of an unusual homoisoflavanone from Polygonum ferrugineum using a combination of chiroptical methods
spellingShingle Absolute configuration assignment of an unusual homoisoflavanone from Polygonum ferrugineum using a combination of chiroptical methods
Batista Jr., João Marcos
Ecd
Vcd
Dft
Roa
title_short Absolute configuration assignment of an unusual homoisoflavanone from Polygonum ferrugineum using a combination of chiroptical methods
title_full Absolute configuration assignment of an unusual homoisoflavanone from Polygonum ferrugineum using a combination of chiroptical methods
title_fullStr Absolute configuration assignment of an unusual homoisoflavanone from Polygonum ferrugineum using a combination of chiroptical methods
title_full_unstemmed Absolute configuration assignment of an unusual homoisoflavanone from Polygonum ferrugineum using a combination of chiroptical methods
title_sort Absolute configuration assignment of an unusual homoisoflavanone from Polygonum ferrugineum using a combination of chiroptical methods
dc.creator.none.fl_str_mv Batista Jr., João Marcos
Wang, Bo
Castelli, Maria Victoria
Blanch, Ewan W.
López, Silvia Noelí
author Batista Jr., João Marcos
author_facet Batista Jr., João Marcos
Wang, Bo
Castelli, Maria Victoria
Blanch, Ewan W.
López, Silvia Noelí
author_role author
author2 Wang, Bo
Castelli, Maria Victoria
Blanch, Ewan W.
López, Silvia Noelí
author2_role author
author
author
author
dc.subject.none.fl_str_mv Ecd
Vcd
Dft
Roa
topic Ecd
Vcd
Dft
Roa
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The absolute configuration of the homoisoflavanone 5,7-dihydroxy-6-methoxy-3-(9-hydroxy-phenylmethyl)-chroman-4-one (1), found in Polygonum species, has been determined as 3R,9R by using a combination of electronic and vibrational chiroptical spectroscopic methods. The experimental spectra were interpreted with the aid of density functional theory calculations. The risks of relying upon a single method for stereochemical characterization of natural products are discussed.
Fil: Batista Jr., João Marcos. Universidade Federal do Sao Carlos; Brasil
Fil: Wang, Bo. BioTools; Estados Unidos
Fil: Castelli, Maria Victoria. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Orgánica. Area Farmacognosia; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Cientifico Tecnológico Rosario; Argentina
Fil: Blanch, Ewan W.. Royal Melbourne Institute of Technology; Australia
Fil: López, Silvia Noelí. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Orgánica. Area Farmacognosia; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Cientifico Tecnológico Rosario; Argentina
description The absolute configuration of the homoisoflavanone 5,7-dihydroxy-6-methoxy-3-(9-hydroxy-phenylmethyl)-chroman-4-one (1), found in Polygonum species, has been determined as 3R,9R by using a combination of electronic and vibrational chiroptical spectroscopic methods. The experimental spectra were interpreted with the aid of density functional theory calculations. The risks of relying upon a single method for stereochemical characterization of natural products are discussed.
publishDate 2015
dc.date.none.fl_str_mv 2015-10
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/13403
Batista Jr., João Marcos; Wang, Bo; Castelli, Maria Victoria; Blanch, Ewan W.; López, Silvia Noelí; Absolute configuration assignment of an unusual homoisoflavanone from Polygonum ferrugineum using a combination of chiroptical methods; Elsevier; Tetrahedron Letters; 56; 44; 10-2015; 6142-6144
0040-4039
url http://hdl.handle.net/11336/13403
identifier_str_mv Batista Jr., João Marcos; Wang, Bo; Castelli, Maria Victoria; Blanch, Ewan W.; López, Silvia Noelí; Absolute configuration assignment of an unusual homoisoflavanone from Polygonum ferrugineum using a combination of chiroptical methods; Elsevier; Tetrahedron Letters; 56; 44; 10-2015; 6142-6144
0040-4039
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.tetlet.2015.09.102
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0040403915301441
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.070432

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