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Crystal structure of betulinic acid methanol monosolvate
The title compound [systematic name: 3β-hydroxylup-20(29)-en-28-oic acid methanol monosolvate], C(30)H(48)O(3)·CH(3)OH, is a solvent pseudopolymorph of a naturally occurring plant-derived lupane-type pentacyclic triterpenoid, which was isolated from the traditional Chinese medicinal plant Syzygiu...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257419/ https://www.ncbi.nlm.nih.gov/pubmed/25553022 http://dx.doi.org/10.1107/S1600536814023848 |
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author | Tang, Wei Chen, Neng-Hua Li, Guo-Qiang Wang, Guo-Cai Li, Yao-Lan |
author_facet | Tang, Wei Chen, Neng-Hua Li, Guo-Qiang Wang, Guo-Cai Li, Yao-Lan |
author_sort | Tang, Wei |
collection | PubMed |
description | The title compound [systematic name: 3β-hydroxylup-20(29)-en-28-oic acid methanol monosolvate], C(30)H(48)O(3)·CH(3)OH, is a solvent pseudopolymorph of a naturally occurring plant-derived lupane-type pentacyclic triterpenoid, which was isolated from the traditional Chinese medicinal plant Syzygium jambos (L.) Alston. The dihedral angle between the planes of the carboxylic acid group and the olefinic group is 12.17 (18)°. The A/B, B/C, C/D and D/E ring junctions are all trans-fused. In the crystal, O—H⋯O hydrogen bonds involving the hydroxy and carboxylic acid groups and the methanol solvent molecule give rise to a two-dimensional network structure lying parallel to (001). |
format | Online Article Text |
id | pubmed-4257419 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-42574192014-12-31 Crystal structure of betulinic acid methanol monosolvate Tang, Wei Chen, Neng-Hua Li, Guo-Qiang Wang, Guo-Cai Li, Yao-Lan Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound [systematic name: 3β-hydroxylup-20(29)-en-28-oic acid methanol monosolvate], C(30)H(48)O(3)·CH(3)OH, is a solvent pseudopolymorph of a naturally occurring plant-derived lupane-type pentacyclic triterpenoid, which was isolated from the traditional Chinese medicinal plant Syzygium jambos (L.) Alston. The dihedral angle between the planes of the carboxylic acid group and the olefinic group is 12.17 (18)°. The A/B, B/C, C/D and D/E ring junctions are all trans-fused. In the crystal, O—H⋯O hydrogen bonds involving the hydroxy and carboxylic acid groups and the methanol solvent molecule give rise to a two-dimensional network structure lying parallel to (001). International Union of Crystallography 2014-11-08 /pmc/articles/PMC4257419/ /pubmed/25553022 http://dx.doi.org/10.1107/S1600536814023848 Text en © Tang et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Tang, Wei Chen, Neng-Hua Li, Guo-Qiang Wang, Guo-Cai Li, Yao-Lan Crystal structure of betulinic acid methanol monosolvate |
title | Crystal structure of betulinic acid methanol monosolvate |
title_full | Crystal structure of betulinic acid methanol monosolvate |
title_fullStr | Crystal structure of betulinic acid methanol monosolvate |
title_full_unstemmed | Crystal structure of betulinic acid methanol monosolvate |
title_short | Crystal structure of betulinic acid methanol monosolvate |
title_sort | crystal structure of betulinic acid methanol monosolvate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257419/ https://www.ncbi.nlm.nih.gov/pubmed/25553022 http://dx.doi.org/10.1107/S1600536814023848 |
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