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Issue 2, 2001
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Structure–ambergris odour relationship investigation in a mixed series of decalin and non-decalin compounds: the electronic-topological approach

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Abstract

A series of 201 compounds with decalin- and non-decalin-type skeletons has been investigated by means of the electronic-topological method (ETM) regarding the possession of ambergris odour. A structural fragment of activity (FA2) has been identified, which is a refinement of an activity feature (FA1) obtained as a result of an earlier electronic-topological study of the structure–odour relationship in a series of decalin-type compounds. The FA2 fragment consists of an oxygen atom and five carbon atoms situated in both decalin and cyclohexane parts of the molecules and possesses well-defined three-dimensional (3D) topology and strictly defined electronic characteristics. The applicability of FA2 to compounds with mixed odours is discussed as well.

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Publication details

The article was received on 06 Sep 2000, accepted on 21 Nov 2000 and first published on 22 Jan 2001


Article type: Paper
DOI: 10.1039/B007407L
Citation: New J. Chem., 2001,25, 283-288
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    Structure–ambergris odour relationship investigation in a mixed series of decalin and non-decalin compounds: the electronic-topological approach

    A. S. Dimoglo, P. F. Vlad, N. M. Shvets and M. N. Coltsa, New J. Chem., 2001, 25, 283
    DOI: 10.1039/B007407L

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