(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.
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
Url:
DOI: 10.1107/S1600536811018009
PubMed: 21754834
PubMed Central: 3120335
Affiliations:
Links toward previous steps (curation, corpus...)
- to stream Pmc, to step Corpus: 000A21
- to stream Pmc, to step Curation: 000A21
- to stream Pmc, to step Checkpoint: 001345
- to stream PubMed, to step Corpus: 001E57
- to stream PubMed, to step Curation: 001E57
- to stream PubMed, to step Checkpoint: 001E09
- to stream Ncbi, to step Merge: 000874
- to stream Ncbi, to step Curation: 000874
- to stream Ncbi, to step Checkpoint: 000874
- to stream Main, to step Merge: 002522
- to stream Main, to step Curation: 002497
Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN</title>
<author><name sortKey="Faust, Rudiger" sort="Faust, Rudiger" uniqKey="Faust R" first="Rüdiger" last="Faust">Rüdiger Faust</name>
<affiliation wicri:level="1"><nlm:aff id="a">Institute for Chemistry, University of Kassel, Heinrich-Plett-Strasse 40, 34132 Kassel,<country>Germany</country>
</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Nauroozi, Djawed" sort="Nauroozi, Djawed" uniqKey="Nauroozi D" first="Djawed" last="Nauroozi">Djawed Nauroozi</name>
<affiliation wicri:level="1"><nlm:aff id="a">Institute for Chemistry, University of Kassel, Heinrich-Plett-Strasse 40, 34132 Kassel,<country>Germany</country>
</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Bruhn, Clemens" sort="Bruhn, Clemens" uniqKey="Bruhn C" first="Clemens" last="Bruhn">Clemens Bruhn</name>
<affiliation wicri:level="1"><nlm:aff id="a">Institute for Chemistry, University of Kassel, Heinrich-Plett-Strasse 40, 34132 Kassel,<country>Germany</country>
</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Koch, Britta" sort="Koch, Britta" uniqKey="Koch B" first="Britta" last="Koch">Britta Koch</name>
<affiliation wicri:level="1"><nlm:aff id="a">Institute for Chemistry, University of Kassel, Heinrich-Plett-Strasse 40, 34132 Kassel,<country>Germany</country>
</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Kuhlich, Paul" sort="Kuhlich, Paul" uniqKey="Kuhlich P" first="Paul" last="Kuhlich">Paul Kuhlich</name>
<affiliation wicri:level="1"><nlm:aff id="b">BAM–Federal Institute for Materials Research and Testing, Richard-Willstätter-Strasse 11, 12489 Berlin,<country>Germany</country>
</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Piechotta, Christian" sort="Piechotta, Christian" uniqKey="Piechotta C" first="Christian" last="Piechotta">Christian Piechotta</name>
<affiliation wicri:level="1"><nlm:aff id="b">BAM–Federal Institute for Materials Research and Testing, Richard-Willstätter-Strasse 11, 12489 Berlin,<country>Germany</country>
</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Nehls, Irene" sort="Nehls, Irene" uniqKey="Nehls I" first="Irene" last="Nehls">Irene Nehls</name>
<affiliation wicri:level="1"><nlm:aff id="b">BAM–Federal Institute for Materials Research and Testing, Richard-Willstätter-Strasse 11, 12489 Berlin,<country>Germany</country>
</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">PMC</idno>
<idno type="pmid">21754834</idno>
<idno type="pmc">3120335</idno>
<idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120335</idno>
<idno type="RBID">PMC:3120335</idno>
<idno type="doi">10.1107/S1600536811018009</idno>
<date when="2011">2011</date>
<idno type="wicri:Area/Pmc/Corpus">000A21</idno>
<idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000A21</idno>
<idno type="wicri:Area/Pmc/Curation">000A21</idno>
<idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000A21</idno>
<idno type="wicri:Area/Pmc/Checkpoint">001345</idno>
<idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Checkpoint">001345</idno>
<idno type="wicri:source">PubMed</idno>
<idno type="RBID">pubmed:21754834</idno>
<idno type="wicri:Area/PubMed/Corpus">001E57</idno>
<idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">001E57</idno>
<idno type="wicri:Area/PubMed/Curation">001E57</idno>
<idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Curation">001E57</idno>
<idno type="wicri:Area/PubMed/Checkpoint">001E09</idno>
<idno type="wicri:explorRef" wicri:stream="Checkpoint" wicri:step="PubMed">001E09</idno>
<idno type="wicri:Area/Ncbi/Merge">000874</idno>
<idno type="wicri:Area/Ncbi/Curation">000874</idno>
<idno type="wicri:Area/Ncbi/Checkpoint">000874</idno>
<idno type="wicri:Area/Main/Merge">002522</idno>
<idno type="wicri:Area/Main/Curation">002497</idno>
<idno type="wicri:Area/Main/Exploration">002497</idno>
</publicationStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN</title>
<author><name sortKey="Faust, Rudiger" sort="Faust, Rudiger" uniqKey="Faust R" first="Rüdiger" last="Faust">Rüdiger Faust</name>
<affiliation wicri:level="1"><nlm:aff id="a">Institute for Chemistry, University of Kassel, Heinrich-Plett-Strasse 40, 34132 Kassel,<country>Germany</country>
</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Nauroozi, Djawed" sort="Nauroozi, Djawed" uniqKey="Nauroozi D" first="Djawed" last="Nauroozi">Djawed Nauroozi</name>
<affiliation wicri:level="1"><nlm:aff id="a">Institute for Chemistry, University of Kassel, Heinrich-Plett-Strasse 40, 34132 Kassel,<country>Germany</country>
</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Bruhn, Clemens" sort="Bruhn, Clemens" uniqKey="Bruhn C" first="Clemens" last="Bruhn">Clemens Bruhn</name>
<affiliation wicri:level="1"><nlm:aff id="a">Institute for Chemistry, University of Kassel, Heinrich-Plett-Strasse 40, 34132 Kassel,<country>Germany</country>
</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Koch, Britta" sort="Koch, Britta" uniqKey="Koch B" first="Britta" last="Koch">Britta Koch</name>
<affiliation wicri:level="1"><nlm:aff id="a">Institute for Chemistry, University of Kassel, Heinrich-Plett-Strasse 40, 34132 Kassel,<country>Germany</country>
</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Kuhlich, Paul" sort="Kuhlich, Paul" uniqKey="Kuhlich P" first="Paul" last="Kuhlich">Paul Kuhlich</name>
<affiliation wicri:level="1"><nlm:aff id="b">BAM–Federal Institute for Materials Research and Testing, Richard-Willstätter-Strasse 11, 12489 Berlin,<country>Germany</country>
</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Piechotta, Christian" sort="Piechotta, Christian" uniqKey="Piechotta C" first="Christian" last="Piechotta">Christian Piechotta</name>
<affiliation wicri:level="1"><nlm:aff id="b">BAM–Federal Institute for Materials Research and Testing, Richard-Willstätter-Strasse 11, 12489 Berlin,<country>Germany</country>
</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Nehls, Irene" sort="Nehls, Irene" uniqKey="Nehls I" first="Irene" last="Nehls">Irene Nehls</name>
<affiliation wicri:level="1"><nlm:aff id="b">BAM–Federal Institute for Materials Research and Testing, Richard-Willstätter-Strasse 11, 12489 Berlin,<country>Germany</country>
</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
</analytic>
<series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title>
<idno type="eISSN">1600-5368</idno>
<imprint><date when="2011">2011</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass></textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en"><p>The title compound (AHTN-OH), C<sub>17</sub>
H<sub>26</sub>
O, 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 <italic>via</italic>
very weak C—H⋯π interactions, forming chains along the <italic>c</italic>
axis.</p>
</div>
</front>
<back><div1 type="bibliography"><listBibl><biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
</listBibl>
</div1>
</back>
</TEI>
<affiliations><list><country><li>Allemagne</li>
</country>
</list>
<tree><country name="Allemagne"><noRegion><name sortKey="Faust, Rudiger" sort="Faust, Rudiger" uniqKey="Faust R" first="Rüdiger" last="Faust">Rüdiger Faust</name>
</noRegion>
<name sortKey="Bruhn, Clemens" sort="Bruhn, Clemens" uniqKey="Bruhn C" first="Clemens" last="Bruhn">Clemens Bruhn</name>
<name sortKey="Koch, Britta" sort="Koch, Britta" uniqKey="Koch B" first="Britta" last="Koch">Britta Koch</name>
<name sortKey="Kuhlich, Paul" sort="Kuhlich, Paul" uniqKey="Kuhlich P" first="Paul" last="Kuhlich">Paul Kuhlich</name>
<name sortKey="Nauroozi, Djawed" sort="Nauroozi, Djawed" uniqKey="Nauroozi D" first="Djawed" last="Nauroozi">Djawed Nauroozi</name>
<name sortKey="Nehls, Irene" sort="Nehls, Irene" uniqKey="Nehls I" first="Irene" last="Nehls">Irene Nehls</name>
<name sortKey="Piechotta, Christian" sort="Piechotta, Christian" uniqKey="Piechotta C" first="Christian" last="Piechotta">Christian Piechotta</name>
</country>
</tree>
</affiliations>
</record>
Pour manipuler ce document sous Unix (Dilib)
EXPLOR_STEP=$WICRI_ROOT/Sante/explor/MersV1/Data/Main/Exploration
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 002497 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd -nk 002497 | SxmlIndent | more
Pour mettre un lien sur cette page dans le réseau Wicri
{{Explor lien |wiki= Sante |area= MersV1 |flux= Main |étape= Exploration |type= RBID |clé= PMC:3120335 |texte= (3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN }}
Pour générer des pages wiki
HfdIndexSelect -h $EXPLOR_AREA/Data/Main/Exploration/RBID.i -Sk "pubmed:21754834" \ | HfdSelect -Kh $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd \ | NlmPubMed2Wicri -a MersV1
![]() | This area was generated with Dilib version V0.6.33. | ![]() |