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Crystal structure of 3a,6,6,9a-tetra­methyl­dodeca­hydro­naphtho­[2,1-b]furan-2-ol

The title compound (common name: sclaral), C(16)H(28)O(2), is a sclareolide derivative, which was synthesized from sclareolide itself. In the mol­ecule, the two six-membered rings, A and B, of the labdane skeleton adopt chair conformations and the five-membered O-containing heterocyclic ring C displ...

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Autores principales: Shi, Xin-Wei, Li, Sheng-Kun, Li, Dang-Dang, Lu, Qiang-Qiang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647384/
https://www.ncbi.nlm.nih.gov/pubmed/26594436
http://dx.doi.org/10.1107/S2056989015016370
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author Shi, Xin-Wei
Li, Sheng-Kun
Li, Dang-Dang
Lu, Qiang-Qiang
author_facet Shi, Xin-Wei
Li, Sheng-Kun
Li, Dang-Dang
Lu, Qiang-Qiang
author_sort Shi, Xin-Wei
collection PubMed
description The title compound (common name: sclaral), C(16)H(28)O(2), is a sclareolide derivative, which was synthesized from sclareolide itself. In the mol­ecule, the two six-membered rings, A and B, of the labdane skeleton adopt chair conformations and the five-membered O-containing heterocyclic ring C displays an envelope conformation, with the methine C atom of the fused C—C bond as the flap. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds, forming chains propagating along [100].
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spelling pubmed-46473842015-11-20 Crystal structure of 3a,6,6,9a-tetra­methyl­dodeca­hydro­naphtho­[2,1-b]furan-2-ol Shi, Xin-Wei Li, Sheng-Kun Li, Dang-Dang Lu, Qiang-Qiang Acta Crystallogr E Crystallogr Commun Data Reports The title compound (common name: sclaral), C(16)H(28)O(2), is a sclareolide derivative, which was synthesized from sclareolide itself. In the mol­ecule, the two six-membered rings, A and B, of the labdane skeleton adopt chair conformations and the five-membered O-containing heterocyclic ring C displays an envelope conformation, with the methine C atom of the fused C—C bond as the flap. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds, forming chains propagating along [100]. International Union of Crystallography 2015-09-12 /pmc/articles/PMC4647384/ /pubmed/26594436 http://dx.doi.org/10.1107/S2056989015016370 Text en © Shi 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
Shi, Xin-Wei
Li, Sheng-Kun
Li, Dang-Dang
Lu, Qiang-Qiang
Crystal structure of 3a,6,6,9a-tetra­methyl­dodeca­hydro­naphtho­[2,1-b]furan-2-ol
title Crystal structure of 3a,6,6,9a-tetra­methyl­dodeca­hydro­naphtho­[2,1-b]furan-2-ol
title_full Crystal structure of 3a,6,6,9a-tetra­methyl­dodeca­hydro­naphtho­[2,1-b]furan-2-ol
title_fullStr Crystal structure of 3a,6,6,9a-tetra­methyl­dodeca­hydro­naphtho­[2,1-b]furan-2-ol
title_full_unstemmed Crystal structure of 3a,6,6,9a-tetra­methyl­dodeca­hydro­naphtho­[2,1-b]furan-2-ol
title_short Crystal structure of 3a,6,6,9a-tetra­methyl­dodeca­hydro­naphtho­[2,1-b]furan-2-ol
title_sort crystal structure of 3a,6,6,9a-tetra­methyl­dodeca­hydro­naphtho­[2,1-b]furan-2-ol
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647384/
https://www.ncbi.nlm.nih.gov/pubmed/26594436
http://dx.doi.org/10.1107/S2056989015016370
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