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(1S,3R,8R,9S,11R)-2,2-二溴-10,10-二氯-3,7,7,11-四甲基-四环-[6.5.0.0(1,3).0(9,11)]十三烷

(1S,3R,8R,9S,11R)-2,2-Di-bromo-10,10-di-chloro-3,7,7,11-tetra-methyl-tetra-cyclo-[6.5.0.0(1,3).0(9,11)]trideca-ne.

作者信息

Ourhriss Najia, Benharref Ahmed, Saadi Mohamed, Berraho Moha, El Ammari Lahcen

机构信息

Laboratoire de Chimie Biomoléculaire, Substances Naturelles et Réactivité "Unité Associée au CNRST (URAC16)", Université Cadi Ayyad, Faculté des Sciences Semlalia, BP 2390, Bd My Abdellah, 40000 Marrakech, Morocco.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 13;69(Pt 5):o724. doi: 10.1107/S1600536813009070. Print 2013 May 1.

DOI:10.1107/S1600536813009070
PMID:23723876
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3648256/
Abstract

The title compound, C17H24Br2Cl2, was synthesized from β-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzo-cyclo-heptene), which was isolated from the essential oil of the Atlas cedar (Cedrus Atlantica). The mol-ecule contains fused six-, seven- and two three-membered rings. The six-membered ring has a half-chair conformation, while the seven-membered ring displays a boat conformation. The absolute structure was unambiguously established from anomalous dispersion effects. The crystal packing exhibits no short inter-molecular contacts.

摘要

标题化合物C17H24Br2Cl2由β-喜玛拉雅烯(3,5,5,9-四甲基-2,4a,5,6,7,8-六氢-1H-苯并环庚烯)合成,β-喜玛拉雅烯是从阿特拉斯雪松(Cedrus Atlantica)的精油中分离得到的。该分子包含稠合的六元、七元和两个三元环。六元环具有半椅式构象,而七元环呈现船式构象。通过反常色散效应明确确定了绝对结构。晶体堆积中不存在短程分子间接触。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9e3/3648256/dc2ad9655720/e-69-0o724-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9e3/3648256/dc2ad9655720/e-69-0o724-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9e3/3648256/dc2ad9655720/e-69-0o724-fig1.jpg

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