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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...

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Autores principales: Tang, Wei, Chen, Neng-Hua, Li, Guo-Qiang, Wang, Guo-Cai, Li, Yao-Lan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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).
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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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