Synthesis of Small Libraries of Natural Products: Part II: Identification of a New Natural Product from the Essential Oil of <i>Pleurospermum austriacum</i> (L.) Hoffm. (Apiaceae)
Herein, comprehensive data of NMR, MS, IR, and gas chromatography (RI) obtained by GC-MS on commonly used capillary columns of different polarity (non-polar DB-5MS and polar HP-Innowax) of a series of esters of all constitutional isomers of hexanoic acid with a homologous series of ω-phenylalkan-1-o...
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MDPI AG
2023-06-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/28/12/4574 |
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| author | Niko S. Radulović Marko Z. Mladenović Milan S. Dekić Fabio Boylan |
| author_facet | Niko S. Radulović Marko Z. Mladenović Milan S. Dekić Fabio Boylan |
| author_sort | Niko S. Radulović |
| collection | DOAJ |
| description | Herein, comprehensive data of NMR, MS, IR, and gas chromatography (RI) obtained by GC-MS on commonly used capillary columns of different polarity (non-polar DB-5MS and polar HP-Innowax) of a series of esters of all constitutional isomers of hexanoic acid with a homologous series of ω-phenylalkan-1-ols (phenylmethanol, 2-phenylethanol, 3-phenylpropan-1-ol, 4-phenylbutan-1-ol, and 5-phenylpentan-1-ol) and phenol, in total 48 chemical entities, were collected. The created synthetic library allowed the identification of a new constituent of the <i>P. austriacum</i> essential oil (3-phenylpropyl 2-methylpentanoate). The accumulated spectral and chromatographical data, as well as the established correlation between RI values and structures of regioisomeric hexanoates, provide (phyto)chemists with a tool that will make future identification of related natural compounds a straightforward task. |
| first_indexed | 2024-03-11T02:07:01Z |
| format | Article |
| id | doaj.art-3154ab77f00d4ca78c3d9f5b90ef695a |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-11T02:07:01Z |
| publishDate | 2023-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-3154ab77f00d4ca78c3d9f5b90ef695a2023-11-18T11:47:29ZengMDPI AGMolecules1420-30492023-06-012812457410.3390/molecules28124574Synthesis of Small Libraries of Natural Products: Part II: Identification of a New Natural Product from the Essential Oil of <i>Pleurospermum austriacum</i> (L.) Hoffm. (Apiaceae)Niko S. Radulović0Marko Z. Mladenović1Milan S. Dekić2Fabio Boylan3Department of Chemistry, Faculty of Sciences and Mathematics, University of Niš, Višegradska 33, 18000 Niš, SerbiaDepartment of Chemistry, Faculty of Sciences and Mathematics, University of Niš, Višegradska 33, 18000 Niš, SerbiaDepartment of Sciences and Mathematics, State University of Novi Pazar, Vuka Karadžića 9, 36300 Novi Pazar, SerbiaSchool of Pharmacy and Pharmaceutical Sciences, Panoz Institute, and Trinity Biomedical Sciences Institute, Trinity College Dublin, Dublin 2, D02 PN40 Dublin, IrelandHerein, comprehensive data of NMR, MS, IR, and gas chromatography (RI) obtained by GC-MS on commonly used capillary columns of different polarity (non-polar DB-5MS and polar HP-Innowax) of a series of esters of all constitutional isomers of hexanoic acid with a homologous series of ω-phenylalkan-1-ols (phenylmethanol, 2-phenylethanol, 3-phenylpropan-1-ol, 4-phenylbutan-1-ol, and 5-phenylpentan-1-ol) and phenol, in total 48 chemical entities, were collected. The created synthetic library allowed the identification of a new constituent of the <i>P. austriacum</i> essential oil (3-phenylpropyl 2-methylpentanoate). The accumulated spectral and chromatographical data, as well as the established correlation between RI values and structures of regioisomeric hexanoates, provide (phyto)chemists with a tool that will make future identification of related natural compounds a straightforward task.https://www.mdpi.com/1420-3049/28/12/4574synthetic libraryestersNMRGC-MSstructure elucidation<i>Pleurospermum austriacum</i> |
| spellingShingle | Niko S. Radulović Marko Z. Mladenović Milan S. Dekić Fabio Boylan Synthesis of Small Libraries of Natural Products: Part II: Identification of a New Natural Product from the Essential Oil of <i>Pleurospermum austriacum</i> (L.) Hoffm. (Apiaceae) Molecules synthetic library esters NMR GC-MS structure elucidation <i>Pleurospermum austriacum</i> |
| title | Synthesis of Small Libraries of Natural Products: Part II: Identification of a New Natural Product from the Essential Oil of <i>Pleurospermum austriacum</i> (L.) Hoffm. (Apiaceae) |
| title_full | Synthesis of Small Libraries of Natural Products: Part II: Identification of a New Natural Product from the Essential Oil of <i>Pleurospermum austriacum</i> (L.) Hoffm. (Apiaceae) |
| title_fullStr | Synthesis of Small Libraries of Natural Products: Part II: Identification of a New Natural Product from the Essential Oil of <i>Pleurospermum austriacum</i> (L.) Hoffm. (Apiaceae) |
| title_full_unstemmed | Synthesis of Small Libraries of Natural Products: Part II: Identification of a New Natural Product from the Essential Oil of <i>Pleurospermum austriacum</i> (L.) Hoffm. (Apiaceae) |
| title_short | Synthesis of Small Libraries of Natural Products: Part II: Identification of a New Natural Product from the Essential Oil of <i>Pleurospermum austriacum</i> (L.) Hoffm. (Apiaceae) |
| title_sort | synthesis of small libraries of natural products part ii identification of a new natural product from the essential oil of i pleurospermum austriacum i l hoffm apiaceae |
| topic | synthetic library esters NMR GC-MS structure elucidation <i>Pleurospermum austriacum</i> |
| url | https://www.mdpi.com/1420-3049/28/12/4574 |
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