A nor-caryophyllane derivative, artarborol, has been isolated from wormwood (Artemisia arborescens) and its stereostructure established by using a combination of chemical derivatization, NMR data, molecular modeling, and quantum-mechanical calculations. In particular, comparison of experimental 13C NMR data with a Boltzmann-weighed average of 13C NMR chemical shifts, calculated by ab initio DFT method, supported the stereochemical assignment.
Artarborol, a nor-Caryophyllane Sesquiterpene Alcohol from Artemisia arborescens. Stereostructure Assignment through Concurrence of NMR Data and Computational Analysis / Fattorusso, Caterina; E., Stendardo; G., Appendino; Fattorusso, Ernesto; Luciano, Paolo; Romano, Adriana; TAGLIALATELA SCAFATI, Orazio. - In: ORGANIC LETTERS. - ISSN 1523-7060. - STAMPA. - 9:12(2007), pp. 2377-2380. [10.1021/ol070803s]
Artarborol, a nor-Caryophyllane Sesquiterpene Alcohol from Artemisia arborescens. Stereostructure Assignment through Concurrence of NMR Data and Computational Analysis
FATTORUSSO, CATERINA;FATTORUSSO, ERNESTO;LUCIANO, PAOLO;ROMANO, ADRIANA;TAGLIALATELA SCAFATI, ORAZIO
2007
Abstract
A nor-caryophyllane derivative, artarborol, has been isolated from wormwood (Artemisia arborescens) and its stereostructure established by using a combination of chemical derivatization, NMR data, molecular modeling, and quantum-mechanical calculations. In particular, comparison of experimental 13C NMR data with a Boltzmann-weighed average of 13C NMR chemical shifts, calculated by ab initio DFT method, supported the stereochemical assignment.| File | Dimensione | Formato | |
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