ABSOLUTE CONFIGURATION OF MULINOLIC ACID

ABSTRACT The structure of this mulinolic acid consists of a mulinane skeleton and the corresponding isopropyl, methyl, carboxyl and methyl groups at C3, C8, C5, C13, respectively, which are β-oriented, whereas the hydroxyl group at C13 is α-oriented. The cyclopentane (A), ciclohexa...

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Autores principales:	BRITO,IVÁN, BORQUEZ,JORGE, HUAROTE,EMILY, LOYOLA,LUIS, CÁRDENAS,ALEJANDRO, SIMIRGIOTIS,MARIO
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2017
Materias:	absolute configuration diterpenoid X-ray diffraction crystal and supramolecular structure
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072017000303658
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spelling	oai:scielo:S0717-970720170003036582017-09-08ABSOLUTE CONFIGURATION OF MULINOLIC ACIDBRITO,IVÁNBORQUEZ,JORGEHUAROTE,EMILYLOYOLA,LUISCÁRDENAS,ALEJANDROSIMIRGIOTIS,MARIO absolute configuration diterpenoid X-ray diffraction crystal and supramolecular structure ABSTRACT The structure of this mulinolic acid consists of a mulinane skeleton and the corresponding isopropyl, methyl, carboxyl and methyl groups at C3, C8, C5, C13, respectively, which are β-oriented, whereas the hydroxyl group at C13 is α-oriented. The cyclopentane (A), ciclohexane (B) and cicloheptene (C) rings are trans (A/B) and (B/C) cis fused, and in an envelope, chair, and twist conformation respectively. In the crystal the molecules are linked by two intermolecular O—H⋅⋅⋅O hydrogen bond forming bidimensional supramolecular structures with graph-set notation R44(12), R44(40), R66(46) and C44(46). The absolute configuration of the title compound has been determined from the refinement of the Flack parameter16. On this basis the absolute configuration was assigned as C3R, C5S, C8S, C9S, C10S and C13R.info:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.62 n.3 20172017-09-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072017000303658en10.4067/s0717-97072017000303658
institution	Scielo Chile
collection	Scielo Chile
language	English
topic	absolute configuration diterpenoid X-ray diffraction crystal and supramolecular structure
spellingShingle	absolute configuration diterpenoid X-ray diffraction crystal and supramolecular structure BRITO,IVÁN BORQUEZ,JORGE HUAROTE,EMILY LOYOLA,LUIS CÁRDENAS,ALEJANDRO SIMIRGIOTIS,MARIO ABSOLUTE CONFIGURATION OF MULINOLIC ACID
description	ABSTRACT The structure of this mulinolic acid consists of a mulinane skeleton and the corresponding isopropyl, methyl, carboxyl and methyl groups at C3, C8, C5, C13, respectively, which are β-oriented, whereas the hydroxyl group at C13 is α-oriented. The cyclopentane (A), ciclohexane (B) and cicloheptene (C) rings are trans (A/B) and (B/C) cis fused, and in an envelope, chair, and twist conformation respectively. In the crystal the molecules are linked by two intermolecular O—H⋅⋅⋅O hydrogen bond forming bidimensional supramolecular structures with graph-set notation R44(12), R44(40), R66(46) and C44(46). The absolute configuration of the title compound has been determined from the refinement of the Flack parameter16. On this basis the absolute configuration was assigned as C3R, C5S, C8S, C9S, C10S and C13R.
author	BRITO,IVÁN BORQUEZ,JORGE HUAROTE,EMILY LOYOLA,LUIS CÁRDENAS,ALEJANDRO SIMIRGIOTIS,MARIO
author_facet	BRITO,IVÁN BORQUEZ,JORGE HUAROTE,EMILY LOYOLA,LUIS CÁRDENAS,ALEJANDRO SIMIRGIOTIS,MARIO
author_sort	BRITO,IVÁN
title	ABSOLUTE CONFIGURATION OF MULINOLIC ACID
title_short	ABSOLUTE CONFIGURATION OF MULINOLIC ACID
title_full	ABSOLUTE CONFIGURATION OF MULINOLIC ACID
title_fullStr	ABSOLUTE CONFIGURATION OF MULINOLIC ACID
title_full_unstemmed	ABSOLUTE CONFIGURATION OF MULINOLIC ACID
title_sort	absolute configuration of mulinolic acid
publisher	Sociedad Chilena de Química
publishDate	2017
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072017000303658
work_keys_str_mv	AT britoivan absoluteconfigurationofmulinolicacid AT borquezjorge absoluteconfigurationofmulinolicacid AT huaroteemily absoluteconfigurationofmulinolicacid AT loyolaluis absoluteconfigurationofmulinolicacid AT cardenasalejandro absoluteconfigurationofmulinolicacid AT simirgiotismario absoluteconfigurationofmulinolicacid
_version_	1714200916803977216

ABSOLUTE CONFIGURATION OF MULINOLIC ACID

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