Stereochemical determination of NMR chemical shifts in marine terpenoids, antheliol and sangiangol B, using DFT calculations

Stereochemical determination of the flexible trinor-guaiane sesquiterpenoid, antheliol (1a) and the flexible diterpenoid, sangiangol B (2a), isolated from a marine soft coral, Anthelia sp., was supported by quantum chemical calculations of NMR chemical shifts at DFT levels. The relative configuratio...

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Bibliographic Details
Published inNatural product research Vol. 37; no. 18; pp. 3170 - 3176
Main Authors Hanif, Novriyandi, Dinelsa, Fabians Faisal, Dwi Yanti, Henny, Murni, Anggia, Tanaka, Junichi
Format Journal Article
LanguageEnglish
Published Abingdon Taylor & Francis Ltd 17.09.2023
Subjects
Diterpenes
Marine chemistry
Mathematical analysis
NMR
Nuclear magnetic resonance
Quantum chemistry
Stereochemistry
Terpenes
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Summary:Stereochemical determination of the flexible trinor-guaiane sesquiterpenoid, antheliol (1a) and the flexible diterpenoid, sangiangol B (2a), isolated from a marine soft coral, Anthelia sp., was supported by quantum chemical calculations of NMR chemical shifts at DFT levels. The relative configuration of antheliol is now revealed, as 1S*, 4S*, 7S*, 10R* as in 1b, whereas sangiangol B (2c) has complete stereochemistry as 1S*, 7R*, 8R*, 10R*, 11R*, 12S*.
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ISSN:1478-6419
1478-6427
DOI:10.1080/14786419.2022.2147171