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Kallolide A acetate pyrazoline

In the crystal structure of kallolide A acetate pyrazoline [systematic name: 7-methyl-16-oxo-4,10-bis­(prop-1-en-2-yl)-17,18-dioxa-14,15-diaza­tetra­cyclo­[9.4.2.1(6,9).0(1,12)]octa­deca-6,8,14-trien-5-yl acetate], C(23)H(28)N(2)O(5), there is a 12-member­ed carbon macrocyclic structure. In addition...

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Autores principales: Rodríguez-Escudero, Idaliz, Marrero, Jeffrey, Rodríguez, Abimael D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254402/
https://www.ncbi.nlm.nih.gov/pubmed/22259545
http://dx.doi.org/10.1107/S1600536811051890
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author Rodríguez-Escudero, Idaliz
Marrero, Jeffrey
Rodríguez, Abimael D.
author_facet Rodríguez-Escudero, Idaliz
Marrero, Jeffrey
Rodríguez, Abimael D.
author_sort Rodríguez-Escudero, Idaliz
collection PubMed
description In the crystal structure of kallolide A acetate pyrazoline [systematic name: 7-methyl-16-oxo-4,10-bis­(prop-1-en-2-yl)-17,18-dioxa-14,15-diaza­tetra­cyclo­[9.4.2.1(6,9).0(1,12)]octa­deca-6,8,14-trien-5-yl acetate], C(23)H(28)N(2)O(5), there is a 12-member­ed carbon macrocyclic structure. In addition, there is a tris­ubstituted furan ring, an approximately planar γ-lactone ring [maximum deviation of 0.057 (3) Å] and a pyraz­oline ring, the latter in an envelope conformation. The pyrazoline and the γ-lactone rings are fused in a cis configuration. In the crystal, mol­ecules are linked by weak C—H⋯O inter­actions, forming a two-dimensional network parallel to (001). An intra­molecular C—H⋯O hydrogen bond is also present.
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spelling pubmed-32544022012-01-18 Kallolide A acetate pyrazoline Rodríguez-Escudero, Idaliz Marrero, Jeffrey Rodríguez, Abimael D. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of kallolide A acetate pyrazoline [systematic name: 7-methyl-16-oxo-4,10-bis­(prop-1-en-2-yl)-17,18-dioxa-14,15-diaza­tetra­cyclo­[9.4.2.1(6,9).0(1,12)]octa­deca-6,8,14-trien-5-yl acetate], C(23)H(28)N(2)O(5), there is a 12-member­ed carbon macrocyclic structure. In addition, there is a tris­ubstituted furan ring, an approximately planar γ-lactone ring [maximum deviation of 0.057 (3) Å] and a pyraz­oline ring, the latter in an envelope conformation. The pyrazoline and the γ-lactone rings are fused in a cis configuration. In the crystal, mol­ecules are linked by weak C—H⋯O inter­actions, forming a two-dimensional network parallel to (001). An intra­molecular C—H⋯O hydrogen bond is also present. International Union of Crystallography 2011-12-07 /pmc/articles/PMC3254402/ /pubmed/22259545 http://dx.doi.org/10.1107/S1600536811051890 Text en © Rodríguez-Escudero et al. 2012 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
Rodríguez-Escudero, Idaliz
Marrero, Jeffrey
Rodríguez, Abimael D.
Kallolide A acetate pyrazoline
title Kallolide A acetate pyrazoline
title_full Kallolide A acetate pyrazoline
title_fullStr Kallolide A acetate pyrazoline
title_full_unstemmed Kallolide A acetate pyrazoline
title_short Kallolide A acetate pyrazoline
title_sort kallolide a acetate pyrazoline
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254402/
https://www.ncbi.nlm.nih.gov/pubmed/22259545
http://dx.doi.org/10.1107/S1600536811051890
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