CRYSTAL STRUCTURE OF 3,4-DIHYDROXY-5-GERANYL-BENZOIC ACID

The crystal structure of the aromatic compound 3,4-dihydroxy-5-geranyl-benzoic acid (5) is reported for the first time. This compound was isolated from the resinous exudate of Manto Negro (Heliotropium taltalense I. M. Johnst), an endemic species growing in The Atacama Desert using a combination of...

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Autores principales:	BRITO,IVÁN, SIMIRGIOTIS,MARIO J, AVENDAÑO,MARIA, BRAVO,ALEJANDRA, BORQUEZ,JORGE, CÁRDENAS,ALEJANDRO
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2016
Materias:	New phenolic structure benzoic acid derivative flavonoids Chilean plants Heliotropium NMR X-ray diffraction
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072016000300026
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spelling	oai:scielo:S0717-970720160003000262017-06-14CRYSTAL STRUCTURE OF 3,4-DIHYDROXY-5-GERANYL-BENZOIC ACIDBRITO,IVÁNSIMIRGIOTIS,MARIO JAVENDAÑO,MARIABRAVO,ALEJANDRABORQUEZ,JORGECÁRDENAS,ALEJANDRO New phenolic structure benzoic acid derivative flavonoids Chilean plants Heliotropium NMR X-ray diffraction The crystal structure of the aromatic compound 3,4-dihydroxy-5-geranyl-benzoic acid (5) is reported for the first time. This compound was isolated from the resinous exudate of Manto Negro (Heliotropium taltalense I. M. Johnst), an endemic species growing in The Atacama Desert using a combination of High speed counter current chromatography (HSCCC) and permeation through Sephadex LH-20. The structure was elucidated by spectroscopic means and confirmed by X-ray crystal-structure analysis. All OH groups are involved in hydrogen bonding with the average H···O distance of 2.760(3) Å and O-H···O angles in the range 125-159°, so in the crystal packing the molecules are associated by three strong intermolecular hydrogen bonds forming ring with graph-set motif R2²(14) R2²(6).info:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.61 n.3 20162016-09-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072016000300026en10.4067/S0717-97072016000300026
institution	Scielo Chile
collection	Scielo Chile
language	English
topic	New phenolic structure benzoic acid derivative flavonoids Chilean plants Heliotropium NMR X-ray diffraction
spellingShingle	New phenolic structure benzoic acid derivative flavonoids Chilean plants Heliotropium NMR X-ray diffraction BRITO,IVÁN SIMIRGIOTIS,MARIO J AVENDAÑO,MARIA BRAVO,ALEJANDRA BORQUEZ,JORGE CÁRDENAS,ALEJANDRO CRYSTAL STRUCTURE OF 3,4-DIHYDROXY-5-GERANYL-BENZOIC ACID
description	The crystal structure of the aromatic compound 3,4-dihydroxy-5-geranyl-benzoic acid (5) is reported for the first time. This compound was isolated from the resinous exudate of Manto Negro (Heliotropium taltalense I. M. Johnst), an endemic species growing in The Atacama Desert using a combination of High speed counter current chromatography (HSCCC) and permeation through Sephadex LH-20. The structure was elucidated by spectroscopic means and confirmed by X-ray crystal-structure analysis. All OH groups are involved in hydrogen bonding with the average H···O distance of 2.760(3) Å and O-H···O angles in the range 125-159°, so in the crystal packing the molecules are associated by three strong intermolecular hydrogen bonds forming ring with graph-set motif R2²(14) R2²(6).
author	BRITO,IVÁN SIMIRGIOTIS,MARIO J AVENDAÑO,MARIA BRAVO,ALEJANDRA BORQUEZ,JORGE CÁRDENAS,ALEJANDRO
author_facet	BRITO,IVÁN SIMIRGIOTIS,MARIO J AVENDAÑO,MARIA BRAVO,ALEJANDRA BORQUEZ,JORGE CÁRDENAS,ALEJANDRO
author_sort	BRITO,IVÁN
title	CRYSTAL STRUCTURE OF 3,4-DIHYDROXY-5-GERANYL-BENZOIC ACID
title_short	CRYSTAL STRUCTURE OF 3,4-DIHYDROXY-5-GERANYL-BENZOIC ACID
title_full	CRYSTAL STRUCTURE OF 3,4-DIHYDROXY-5-GERANYL-BENZOIC ACID
title_fullStr	CRYSTAL STRUCTURE OF 3,4-DIHYDROXY-5-GERANYL-BENZOIC ACID
title_full_unstemmed	CRYSTAL STRUCTURE OF 3,4-DIHYDROXY-5-GERANYL-BENZOIC ACID
title_sort	crystal structure of 3,4-dihydroxy-5-geranyl-benzoic acid
publisher	Sociedad Chilena de Química
publishDate	2016
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072016000300026
work_keys_str_mv	AT britoivan crystalstructureof34dihydroxy5geranylbenzoicacid AT simirgiotismarioj crystalstructureof34dihydroxy5geranylbenzoicacid AT avendanomaria crystalstructureof34dihydroxy5geranylbenzoicacid AT bravoalejandra crystalstructureof34dihydroxy5geranylbenzoicacid AT borquezjorge crystalstructureof34dihydroxy5geranylbenzoicacid AT cardenasalejandro crystalstructureof34dihydroxy5geranylbenzoicacid
_version_	1714200898919464960

CRYSTAL STRUCTURE OF 3,4-DIHYDROXY-5-GERANYL-BENZOIC ACID

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