MersV1, Main, Exploration, bibRecord, 002497

(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN

Identifieur interne : 002497 ( Main/Exploration ); précédent : 002496; suivant : 002498

(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN

Auteurs : Rüdiger Faust [Allemagne] ; Djawed Nauroozi [Allemagne] ; Clemens Bruhn [Allemagne] ; Britta Koch [Allemagne] ; Paul Kuhlich [Allemagne] ; Christian Piechotta [Allemagne] ; Irene Nehls [Allemagne]

Source :

Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2011.

RBID : PMC:3120335

Abstract

The title compound (AHTN-OH), C₁₇H₂₆O, was prepared in order to provide standard materials for the qualitative and quantitative analysis of environmental pollutants. The molecule possesses a chiral C atom, although the structure determination was performed on racemic material, expressed in the structure as disordered chiral sites. The asymmetric unit consists of four AHTN-OH molecules containing an hydroxy group and forming a tetrameric cyclic motif built up by four strong hydrogen bonds between these hydroxy groups and additionally by two weak C—H⋯π interactions. Furthermore, these tetramers are linked via very weak C—H⋯π interactions, forming chains along the c axis.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120335

DOI: 10.1107/S1600536811018009
PubMed: 21754834
PubMed Central: 3120335

Affiliations:

Allemagne

Le document en format XML

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(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN

(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN

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(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetra­hydro­naphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN

(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetra­hydro­naphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN

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(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN

(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN