(2R,4S,5S)-5-Meth­oxy-4-methyl-3-oxohept-6-en-2-yl benzoate

The title compound, C(16)H(20)O(4), was synthesized in the course of the total synthesis of fusaequisin A in order to verify and confirm the configurations of the stereogenic centers and to exclude the possibility of epimerization during the methyl­ation process. The crystal structure of the title c...

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Detalles Bibliográficos
Autores principales: Schmidt, Ann-Christin, Iovkova, Lyuba, Hiersemann, Martin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462372/
https://www.ncbi.nlm.nih.gov/pubmed/36338945
http://dx.doi.org/10.1107/S2414314621009512
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author Schmidt, Ann-Christin
Iovkova, Lyuba
Hiersemann, Martin
author_facet Schmidt, Ann-Christin
Iovkova, Lyuba
Hiersemann, Martin
author_sort Schmidt, Ann-Christin
collection PubMed
description The title compound, C(16)H(20)O(4), was synthesized in the course of the total synthesis of fusaequisin A in order to verify and confirm the configurations of the stereogenic centers and to exclude the possibility of epimerization during the methyl­ation process. The crystal structure of the title compound at 100 K has ortho­rhom­bic (P2(1)2(1)2(1)) symmetry. The absolute configuration was determined by anomalous dispersion and agrees with the configuration of the allylic alcohol used in the synthesis. [Image: see text]
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spelling pubmed-94623722022-11-04 (2R,4S,5S)-5-Meth­oxy-4-methyl-3-oxohept-6-en-2-yl benzoate Schmidt, Ann-Christin Iovkova, Lyuba Hiersemann, Martin IUCrdata Data Reports The title compound, C(16)H(20)O(4), was synthesized in the course of the total synthesis of fusaequisin A in order to verify and confirm the configurations of the stereogenic centers and to exclude the possibility of epimerization during the methyl­ation process. The crystal structure of the title compound at 100 K has ortho­rhom­bic (P2(1)2(1)2(1)) symmetry. The absolute configuration was determined by anomalous dispersion and agrees with the configuration of the allylic alcohol used in the synthesis. [Image: see text] International Union of Crystallography 2021-09-17 /pmc/articles/PMC9462372/ /pubmed/36338945 http://dx.doi.org/10.1107/S2414314621009512 Text en © Schmidt et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Schmidt, Ann-Christin
Iovkova, Lyuba
Hiersemann, Martin
(2R,4S,5S)-5-Meth­oxy-4-methyl-3-oxohept-6-en-2-yl benzoate
title (2R,4S,5S)-5-Meth­oxy-4-methyl-3-oxohept-6-en-2-yl benzoate
title_full (2R,4S,5S)-5-Meth­oxy-4-methyl-3-oxohept-6-en-2-yl benzoate
title_fullStr (2R,4S,5S)-5-Meth­oxy-4-methyl-3-oxohept-6-en-2-yl benzoate
title_full_unstemmed (2R,4S,5S)-5-Meth­oxy-4-methyl-3-oxohept-6-en-2-yl benzoate
title_short (2R,4S,5S)-5-Meth­oxy-4-methyl-3-oxohept-6-en-2-yl benzoate
title_sort (2r,4s,5s)-5-meth­oxy-4-methyl-3-oxohept-6-en-2-yl benzoate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462372/
https://www.ncbi.nlm.nih.gov/pubmed/36338945
http://dx.doi.org/10.1107/S2414314621009512
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