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(1S,3R,8R,11S)-2,2-二氯-3,7,7,10-四甲基-三环-[6.4.0.0]十二碳-9-烯-11-醇

(1S,3R,8R,11S)-2,2-Dichloro-3,7,7,10-tetra-methyl-tricyclo-[6.4.0.0]dodec-9-en-11-ol.

作者信息

Benharref Ahmed, Lassaba Essêdiya, Avignant Daniel, Oudahmane Abdelghani, Berraho Moha

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 12;67(Pt 3):o615. doi: 10.1107/S1600536811004788.

DOI:10.1107/S1600536811004788
PMID:21522372
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3052100/
Abstract

The title compound, C(16)H(24)Cl(2)O, was synthesized from β-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzocyclo-heptene), which was isolated from essential oil of the Atlas cedar (Cedrus atlantica). The two fused rings exhibit different conformations: the six-membered ring has a screw-boat conformation, while the seven-membered ring displays a boat conformation. The dihedral angle between the two rings is 56.56 (18)°. In the crystal, mol-ecules aggregate into supra-molecular chains along the c axis mediated by O-H⋯O hydrogen bonds.

摘要

标题化合物C(16)H(24)Cl(2)O由β-喜马拉雅烯(3,5,5,9-四甲基-2,4a,5,6,7,8-六氢-1H-苯并环庚烯)合成,β-喜马拉雅烯是从阿特拉斯雪松(Cedrus atlantica)的精油中分离得到的。两个稠合环呈现出不同的构象:六元环具有扭船式构象,而七元环呈现船式构象。两个环之间的二面角为56.56 (18)°。在晶体中,分子通过O-H⋯O氢键沿c轴聚集形成超分子链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6a55/3052100/5a8a92bc939e/e-67-0o615-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6a55/3052100/8141ee22af06/e-67-0o615-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6a55/3052100/5a8a92bc939e/e-67-0o615-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6a55/3052100/8141ee22af06/e-67-0o615-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6a55/3052100/5a8a92bc939e/e-67-0o615-fig2.jpg

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