{"title":"28-O-Acetyl-3-O′-(prop-2-enoyl)betulin","authors":"Ewa Bębenek, Elwira Chrobak, Monika Kadela-Tomanek","doi":"10.3390/m1696","DOIUrl":null,"url":null,"abstract":"28-Acetylbetulin is a good starting compound for the synthesis of 3- or 3,28-substituted betulin derivatives with biological activity. The final product of the reaction of 28-acetylbetulin and acrylic acid under Steglich esterification conditions produced a new 3-alkenyl betulin derivative. The structure of the obtained compound was confirmed based on the analysis of NMR, IR, EI MS, and HRMS spectra. Selected pharmacokinetic parameters related to the absorption and distribution were calculated for the new betulin derivative using in silico methods.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":" ","pages":""},"PeriodicalIF":0.6000,"publicationDate":"2023-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Molbank","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.3390/m1696","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, ORGANIC","Score":null,"Total":0}
引用次数: 0
Abstract
28-Acetylbetulin is a good starting compound for the synthesis of 3- or 3,28-substituted betulin derivatives with biological activity. The final product of the reaction of 28-acetylbetulin and acrylic acid under Steglich esterification conditions produced a new 3-alkenyl betulin derivative. The structure of the obtained compound was confirmed based on the analysis of NMR, IR, EI MS, and HRMS spectra. Selected pharmacokinetic parameters related to the absorption and distribution were calculated for the new betulin derivative using in silico methods.
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