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Data from: Additional Insights into the Obtusallene Family: Components of...
- acs.figshare.com
txtUpdated Jun 1, 2023
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EmailClick to copy linkLink copiedCiteAdrián Gutiérrez-Cepeda; José J. Fernández; Manuel Norte; Matías López-Rodríguez; Iván Brito; Christian D. Muller; María L. Souto (2023). Additional Insights into the Obtusallene Family: Components of Laurencia marilzae [Dataset]. http://doi.org/10.1021/acs.jnatprod.5b01080.s002txtAvailable download formatsUnique identifierhttps://doi.org/10.1021/acs.jnatprod.5b01080.s002Dataset updatedJun 1, 2023Dataset provided byACS PublicationsAuthorsAdrián Gutiérrez-Cepeda; José J. Fernández; Manuel Norte; Matías López-Rodríguez; Iván Brito; Christian D. Muller; María L. SoutoLicenseAttribution-NonCommercial 4.0 (CC BY-NC 4.0)https://creativecommons.org/licenses/by-nc/4.0/
License information was derived automaticallyDescriptionThe obtusallenes are a significant subset of C15-halogenated acetogenins that incorporate 12-membered cyclic ethers. We have recently reported the isolation from Laurencia marilzae of 12-epoxyobtusallene IV (1) and its related α,β-unsaturated carboxylate ester (2), both of special biogenetic relevance. Here we describe the final step of our study, the isolation of three new analogues (3–5), among these, the first bromopropargylic derivative (3) of this class of macrocyclic C15-acetogenins. The structures were elucidated by analysis of NMR and X-ray data. 12-Epoxyobtusallene IV (1), its new isomer 4, and known obtusallene IV (6) were evaluated for their apoptosis-inducing activities in a human hepatocarcinoma cell line.
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Data from: Structural Reassignment of Obtusallenes V, VI, and VII by...
- acs.figshare.com
xlsUpdated May 30, 2023ShareFacebookTwitterEmailClick to copy linkLink copiedCiteD. Christopher Braddock; Henry S. Rzepa (2023). Structural Reassignment of Obtusallenes V, VI, and VII by GIAO-Based Density Functional Prediction [Dataset]. http://doi.org/10.1021/np0705918.s003xlsAvailable download formatsUnique identifierhttps://doi.org/10.1021/np0705918.s003Dataset updatedMay 30, 2023Dataset provided byACS PublicationsAuthorsD. Christopher Braddock; Henry S. RzepaLicenseAttribution-NonCommercial 4.0 (CC BY-NC 4.0)https://creativecommons.org/licenses/by-nc/4.0/
License information was derived automaticallyDescriptionRevised structures proposed previously for obtusallenes V−VII (5–7) have been confirmed on the basis of computed GIAO-DFT 13C NMR chemical shifts.
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FacebookTwitterEmailData from: Additional Insights into the Obtusallene Family: Components of Laurencia marilzae
Attribution-NonCommercial 4.0 (CC BY-NC 4.0)https://creativecommons.org/licenses/by-nc/4.0/
License information was derived automatically
The obtusallenes are a significant subset of C15-halogenated acetogenins that incorporate 12-membered cyclic ethers. We have recently reported the isolation from Laurencia marilzae of 12-epoxyobtusallene IV (1) and its related α,β-unsaturated carboxylate ester (2), both of special biogenetic relevance. Here we describe the final step of our study, the isolation of three new analogues (3–5), among these, the first bromopropargylic derivative (3) of this class of macrocyclic C15-acetogenins. The structures were elucidated by analysis of NMR and X-ray data. 12-Epoxyobtusallene IV (1), its new isomer 4, and known obtusallene IV (6) were evaluated for their apoptosis-inducing activities in a human hepatocarcinoma cell line.