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Radermachol and naphthoquinone derivatives from Tecomella undulata: Complete ¹H and ¹³C NMR assignments of radermachol with the aid of computational ¹³C shift prediction

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Title Radermachol and naphthoquinone derivatives from Tecomella undulata: Complete ¹H and ¹³C NMR assignments of radermachol with the aid of computational ¹³C shift prediction
 
Creator Singh, Pahup
Khandelwal, Poonam
Hara, Noriyuki
Asai, Teigo
Fujimoto, Yoshinori
 
Subject Radermachol
2-isopropenylnaphtho[2,3-b]furan-4,9-quinone
chemical shift prediction
Tecomella undulata
computational chemistry
 
Description 1865-1870
Petroleum ether extract of the heartwood of Tecomella undulata affords radermachol, an unusual rare pigment and 2-isopropenylnaphtho[2,3-b]furan-4,9-quinone along with lapachol, tecomaquinone-I, dehydro-α-lapachone, α-lapachone, β-lapachone, cluytyl ferulate, stigmasterol and β-sitosterol. Radermachol and 2-isopropenylnaphtho [2,3-b]furan-4,9-quinone are being reported for the first time from genus Tecomella. Complete assignments of ¹H and ¹³C NMR signals of polyketide, radermachol 1, have been achieved by the ¹³C NMR chemical shift prediction using ab initio MO and DFT/GIAO methods in addition to 2D-NMR techniques.
 
Date 2009-01-13T05:10:49Z
2009-01-13T05:10:49Z
2008-12
 
Type Article
 
Identifier 0376-4699
http://hdl.handle.net/123456789/2747
 
Language en_US
 
Publisher CSIR
 
Source IJCB Vol.47B(12) [December 2008]