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

ABSTRACT: The title compound (AHTN-OH), C(17)H(26)O, was prepared in order to provide standard materials for the qualitative and quanti-tative analysis of environmental pollutants. The mol-ecule 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 mol-ecules containing an hy-droxy group and forming a tetra-meric cyclic motif built up by four strong hydrogen bonds between these hy-droxy groups and additionally by two weak C-H?? inter-actions. Furthermore, these tetra-mers are linked via very weak C-H?? inter-actions, forming chains along the c axis.

SUBMITTER: Faust R

PROVIDER: S-EPMC3120335 | biostudies-other | 2011 Jun

REPOSITORIES: biostudies-other

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

Faust Rüdiger R Nauroozi Djawed D Bruhn Clemens C Koch Britta B Kuhlich Paul P Piechotta Christian C Nehls Irene I

Acta crystallographica. Section E, Structure reports online 20110520 Pt 6

The title compound (AHTN-OH), C(17)H(26)O, was prepared in order to provide standard materials for the qualitative and quanti-tative analysis of environmental pollutants. The mol-ecule 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 mol-ecules containing an hy-droxy group and forming a tetra-meric cyclic motif built up by four strong hydrogen bond ...[more]

PMID: 21754834

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