An ent-kaurane diterpenoid from Isodon japonica var. glaucocalyx

The title compound, 14β-acet­oxy-7α-hydr­oxy-ent-kaur-16-ene-3,15-dione or glaucocalyxin B, C(22)H(30)O(5), a natural ent-kaurane diterpenoid, is composed of four rings with the expected cis and trans ring junctions. In the crystal structure, there are two mol­ecules in the asymmetric unit related b...

Descripción completa

Detalles Bibliográficos
Autores principales: Bai, Su-Ping, Luo, Guo-Sheng, Zhang, Xiao-Yi, Liu, Wei
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977125/
https://www.ncbi.nlm.nih.gov/pubmed/21583588
http://dx.doi.org/10.1107/S1600536809027159
_version_ 1782191032855691264
author Bai, Su-Ping
Luo, Guo-Sheng
Zhang, Xiao-Yi
Liu, Wei
author_facet Bai, Su-Ping
Luo, Guo-Sheng
Zhang, Xiao-Yi
Liu, Wei
author_sort Bai, Su-Ping
collection PubMed
description The title compound, 14β-acet­oxy-7α-hydr­oxy-ent-kaur-16-ene-3,15-dione or glaucocalyxin B, C(22)H(30)O(5), a natural ent-kaurane diterpenoid, is composed of four rings with the expected cis and trans ring junctions. In the crystal structure, there are two mol­ecules in the asymmetric unit related by a noncrystallographic twofold screw axis, and ring A is disordered [ratio occupancies 0.829 (19):0.171 (19)], such that both chair and boat conformations are present, but with the boat conformation as the major component. In the crystal, mol­ecules are linked by inter­molecular O—H⋯O hydrogen bonds.
format Text
id pubmed-2977125
institution National Center for Biotechnology Information
language English
publishDate 2009
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29771252010-12-30 An ent-kaurane diterpenoid from Isodon japonica var. glaucocalyx Bai, Su-Ping Luo, Guo-Sheng Zhang, Xiao-Yi Liu, Wei Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, 14β-acet­oxy-7α-hydr­oxy-ent-kaur-16-ene-3,15-dione or glaucocalyxin B, C(22)H(30)O(5), a natural ent-kaurane diterpenoid, is composed of four rings with the expected cis and trans ring junctions. In the crystal structure, there are two mol­ecules in the asymmetric unit related by a noncrystallographic twofold screw axis, and ring A is disordered [ratio occupancies 0.829 (19):0.171 (19)], such that both chair and boat conformations are present, but with the boat conformation as the major component. In the crystal, mol­ecules are linked by inter­molecular O—H⋯O hydrogen bonds. International Union of Crystallography 2009-07-18 /pmc/articles/PMC2977125/ /pubmed/21583588 http://dx.doi.org/10.1107/S1600536809027159 Text en © Bai et al. 2009 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 Organic Papers
Bai, Su-Ping
Luo, Guo-Sheng
Zhang, Xiao-Yi
Liu, Wei
An ent-kaurane diterpenoid from Isodon japonica var. glaucocalyx
title An ent-kaurane diterpenoid from Isodon japonica var. glaucocalyx
title_full An ent-kaurane diterpenoid from Isodon japonica var. glaucocalyx
title_fullStr An ent-kaurane diterpenoid from Isodon japonica var. glaucocalyx
title_full_unstemmed An ent-kaurane diterpenoid from Isodon japonica var. glaucocalyx
title_short An ent-kaurane diterpenoid from Isodon japonica var. glaucocalyx
title_sort ent-kaurane diterpenoid from isodon japonica var. glaucocalyx
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977125/
https://www.ncbi.nlm.nih.gov/pubmed/21583588
http://dx.doi.org/10.1107/S1600536809027159
work_keys_str_mv AT baisuping anentkauranediterpenoidfromisodonjaponicavarglaucocalyx
AT luoguosheng anentkauranediterpenoidfromisodonjaponicavarglaucocalyx
AT zhangxiaoyi anentkauranediterpenoidfromisodonjaponicavarglaucocalyx
AT liuwei anentkauranediterpenoidfromisodonjaponicavarglaucocalyx
AT baisuping entkauranediterpenoidfromisodonjaponicavarglaucocalyx
AT luoguosheng entkauranediterpenoidfromisodonjaponicavarglaucocalyx
AT zhangxiaoyi entkauranediterpenoidfromisodonjaponicavarglaucocalyx
AT liuwei entkauranediterpenoidfromisodonjaponicavarglaucocalyx

Ejemplares similares