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Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid)

The title compound, C(30)H(44)O(5), is a penta­cyclic triterpene isolated from the Cameroonian medicinal plant Nauclea Pobeguinii and known as quafrinoic acid. The mol­ecule is composed of five fused six-membered rings, four of which adopt a chair conformation and one a half-chair conformation. Intr...

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Autores principales: Bankeu Kezetas, Jean Jules, Dietagoum Madjouka, Stéphanie, Kumar, Rajesh, Ali, Muhammad Shaiq, Lenta Njakou, Bruno, Yousuf, Sammer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418801/
https://www.ncbi.nlm.nih.gov/pubmed/28529793
http://dx.doi.org/10.1107/S2056989017006077
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author Bankeu Kezetas, Jean Jules
Dietagoum Madjouka, Stéphanie
Kumar, Rajesh
Ali, Muhammad Shaiq
Lenta Njakou, Bruno
Yousuf, Sammer
author_facet Bankeu Kezetas, Jean Jules
Dietagoum Madjouka, Stéphanie
Kumar, Rajesh
Ali, Muhammad Shaiq
Lenta Njakou, Bruno
Yousuf, Sammer
author_sort Bankeu Kezetas, Jean Jules
collection PubMed
description The title compound, C(30)H(44)O(5), is a penta­cyclic triterpene isolated from the Cameroonian medicinal plant Nauclea Pobeguinii and known as quafrinoic acid. The mol­ecule is composed of five fused six-membered rings, four of which adopt a chair conformation and one a half-chair conformation. Intra­molecular C—H⋯O hydrogen-bond inter­actions exist, which generate S6 and S8 rings. In the crystal, mol­ecules are linked by pairs of O—H⋯O hydrogen bonds, linking R (2) (2)(8) rings into chains running parallel to the a axis; these chains are further connected into layers parallel to the ab plane by C—H⋯O hydrogen bonds. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (79.4%) and O⋯H (20.4%) inter­actions.
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spelling pubmed-54188012017-05-19 Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid) Bankeu Kezetas, Jean Jules Dietagoum Madjouka, Stéphanie Kumar, Rajesh Ali, Muhammad Shaiq Lenta Njakou, Bruno Yousuf, Sammer Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(30)H(44)O(5), is a penta­cyclic triterpene isolated from the Cameroonian medicinal plant Nauclea Pobeguinii and known as quafrinoic acid. The mol­ecule is composed of five fused six-membered rings, four of which adopt a chair conformation and one a half-chair conformation. Intra­molecular C—H⋯O hydrogen-bond inter­actions exist, which generate S6 and S8 rings. In the crystal, mol­ecules are linked by pairs of O—H⋯O hydrogen bonds, linking R (2) (2)(8) rings into chains running parallel to the a axis; these chains are further connected into layers parallel to the ab plane by C—H⋯O hydrogen bonds. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (79.4%) and O⋯H (20.4%) inter­actions. International Union of Crystallography 2017-04-28 /pmc/articles/PMC5418801/ /pubmed/28529793 http://dx.doi.org/10.1107/S2056989017006077 Text en © Bankeu Kezetas et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Bankeu Kezetas, Jean Jules
Dietagoum Madjouka, Stéphanie
Kumar, Rajesh
Ali, Muhammad Shaiq
Lenta Njakou, Bruno
Yousuf, Sammer
Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid)
title Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid)
title_full Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid)
title_fullStr Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid)
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid)
title_short Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid)
title_sort crystal structure and hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418801/
https://www.ncbi.nlm.nih.gov/pubmed/28529793
http://dx.doi.org/10.1107/S2056989017006077
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