Crystal structure of (3S*,4S*,4aS*,5R*,6R*,6aS*,7R*,11aS*,11bR*)-5,6-bis(benzo­yloxy)-3,4a-dihy­droxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodeca­hydro­phenanthro[3,2-b]furan-4-carb­oxy­lic acid methanol monosolvate

The title compound, C(34)H(36)O(9)·CH(3)OH, is a diterpenoid isolated from the roots of Caesalpinia pulcherrima (L.) Swartz. The three trans-fused six-membered rings are in chair, chair and half-chair conformations. The mean plane of this fused-ring system makes dihedral angles of 67.95 (15) and 83....

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Autores principales: Siddiqui, Sadaf, Erharuyi, Osayemwenre, Falodun, Abiodun, Choudhary, M. Iqbal, Yousuf, Sammer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647408/
https://www.ncbi.nlm.nih.gov/pubmed/26594451
http://dx.doi.org/10.1107/S2056989015016461
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author Siddiqui, Sadaf
Erharuyi, Osayemwenre
Falodun, Abiodun
Choudhary, M. Iqbal
Yousuf, Sammer
author_facet Siddiqui, Sadaf
Erharuyi, Osayemwenre
Falodun, Abiodun
Choudhary, M. Iqbal
Yousuf, Sammer
author_sort Siddiqui, Sadaf
collection PubMed
description The title compound, C(34)H(36)O(9)·CH(3)OH, is a diterpenoid isolated from the roots of Caesalpinia pulcherrima (L.) Swartz. The three trans-fused six-membered rings are in chair, chair and half-chair conformations. The mean plane of this fused-ring system makes dihedral angles of 67.95 (15) and 83.72 (14)° with the two phenyl rings of the benzo­yloxy groups. An intra­molecular C—H⋯O hydrogen bond is observed. In the crystal, mol­ecules are linked via O—H⋯O hydrogen bonds, forming an infinite chain along the b-axis direction.
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spelling pubmed-46474082015-11-20 Crystal structure of (3S*,4S*,4aS*,5R*,6R*,6aS*,7R*,11aS*,11bR*)-5,6-bis(benzo­yloxy)-3,4a-dihy­droxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodeca­hydro­phenanthro[3,2-b]furan-4-carb­oxy­lic acid methanol monosolvate Siddiqui, Sadaf Erharuyi, Osayemwenre Falodun, Abiodun Choudhary, M. Iqbal Yousuf, Sammer Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(34)H(36)O(9)·CH(3)OH, is a diterpenoid isolated from the roots of Caesalpinia pulcherrima (L.) Swartz. The three trans-fused six-membered rings are in chair, chair and half-chair conformations. The mean plane of this fused-ring system makes dihedral angles of 67.95 (15) and 83.72 (14)° with the two phenyl rings of the benzo­yloxy groups. An intra­molecular C—H⋯O hydrogen bond is observed. In the crystal, mol­ecules are linked via O—H⋯O hydrogen bonds, forming an infinite chain along the b-axis direction. International Union of Crystallography 2015-09-12 /pmc/articles/PMC4647408/ /pubmed/26594451 http://dx.doi.org/10.1107/S2056989015016461 Text en © Siddiqui et al. 2015 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
Siddiqui, Sadaf
Erharuyi, Osayemwenre
Falodun, Abiodun
Choudhary, M. Iqbal
Yousuf, Sammer
Crystal structure of (3S*,4S*,4aS*,5R*,6R*,6aS*,7R*,11aS*,11bR*)-5,6-bis(benzo­yloxy)-3,4a-dihy­droxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodeca­hydro­phenanthro[3,2-b]furan-4-carb­oxy­lic acid methanol monosolvate
title Crystal structure of (3S*,4S*,4aS*,5R*,6R*,6aS*,7R*,11aS*,11bR*)-5,6-bis(benzo­yloxy)-3,4a-dihy­droxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodeca­hydro­phenanthro[3,2-b]furan-4-carb­oxy­lic acid methanol monosolvate
title_full Crystal structure of (3S*,4S*,4aS*,5R*,6R*,6aS*,7R*,11aS*,11bR*)-5,6-bis(benzo­yloxy)-3,4a-dihy­droxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodeca­hydro­phenanthro[3,2-b]furan-4-carb­oxy­lic acid methanol monosolvate
title_fullStr Crystal structure of (3S*,4S*,4aS*,5R*,6R*,6aS*,7R*,11aS*,11bR*)-5,6-bis(benzo­yloxy)-3,4a-dihy­droxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodeca­hydro­phenanthro[3,2-b]furan-4-carb­oxy­lic acid methanol monosolvate
title_full_unstemmed Crystal structure of (3S*,4S*,4aS*,5R*,6R*,6aS*,7R*,11aS*,11bR*)-5,6-bis(benzo­yloxy)-3,4a-dihy­droxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodeca­hydro­phenanthro[3,2-b]furan-4-carb­oxy­lic acid methanol monosolvate
title_short Crystal structure of (3S*,4S*,4aS*,5R*,6R*,6aS*,7R*,11aS*,11bR*)-5,6-bis(benzo­yloxy)-3,4a-dihy­droxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodeca­hydro­phenanthro[3,2-b]furan-4-carb­oxy­lic acid methanol monosolvate
title_sort crystal structure of (3s*,4s*,4as*,5r*,6r*,6as*,7r*,11as*,11br*)-5,6-bis(benzo­yloxy)-3,4a-dihy­droxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodeca­hydro­phenanthro[3,2-b]furan-4-carb­oxy­lic acid methanol monosolvate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647408/
https://www.ncbi.nlm.nih.gov/pubmed/26594451
http://dx.doi.org/10.1107/S2056989015016461
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