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(1S,3R,5S,7S)-4,4,8,8-Tetra-chloro-1-isopropyl-5-methyl-tri-cyclo-[5.1.0.0(3,5)]octa-ne.

ABSTRACT: The title compound, C12H16Cl4, is a derivative of the natural product 1-isopropyl-4-methyl-cyclo-hexa-1,4-diene, and represents a diastereomer with two trans-fused cyclo-propane rings. Both enanti-omers are present in the non-centrosymmetric polar space group Pna21. The central cyclo-hexane ring is planar within 0.02?(1)?Å. The C atoms of di-chloro-methyl-ene groups deviate from this plane by 1.19?(1) and -1.26?(1)?Å, whereas the isopropyl and methyl groups are oriented more equatorially, deviating by 0.71?(1) and -0.87?(1)?Å, respectively.

SUBMITTER: Turdybekov KM

PROVIDER: S-EPMC3998570 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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(1S,3R,5S,7S)-4,4,8,8-Tetra-chloro-1-isopropyl-5-methyl-tri-cyclo-[5.1.0.0(3,5)]octa-ne.

Turdybekov Koblandy M KM Ryazantsev Oleg G OG Atazhanova Gayane A GA Adekenov Sergazy M SM

Acta crystallographica. Section E, Structure reports online 20140312 Pt 4

The title compound, C12H16Cl4, is a derivative of the natural product 1-isopropyl-4-methyl-cyclo-hexa-1,4-diene, and represents a diastereomer with two trans-fused cyclo-propane rings. Both enanti-omers are present in the non-centrosymmetric polar space group Pna21. The central cyclo-hexane ring is planar within 0.02 (1) Å. The C atoms of di-chloro-methyl-ene groups deviate from this plane by 1.19 (1) and -1.26 (1) Å, whereas the isopropyl and methyl groups are oriented more equatorially, deviat ...[more]

PMID: 24826130

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Project description:The title compound, C16H23BrCl2O, was synthesized in three steps 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 is built up from two fused six- and seven-membered rings, each linked to a three-membered ring. The six-membered ring has a screw-boat conformation, whereas the seven-membered ring displays a twist-boat conformation. The absolute structure was established unambiguously from anomalous dispersion effects.

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1-[(1S,6R,7S,9R)-8,8-Di-bromo-5,5,9-tri-methyl-tri-cyclo-[4.4.0.1(7,9)]decan-1-yl]ethanone.

Project description:The title compound, C16H24Br2O, was synthesized by three steps from ?-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzo-cyclo-heptene), which was isolated from essential oil of the Atlas cedar cedrus atlantica. The asymmetric unit contains two independent mol-ecules with almost identical conformations. Each mol-ecule is built up from two fused six-membered rings, one having a chair conformation and the other a boat conformation, and an additional three-membered ring arising from the reaction of himachalene with di-bromo-carbene. In the crystal, there are no significant intermolecular interactions present. The absolute structure of the title compound was confirmed by resonance scattering.

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(1S,3R)-3-Ammonio-cyclo-hexa-necarboxyl-ate.

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(1S,3R,8R,10R)-2,2-Di-bromo-3,7,7,10-tetra-methyl-tri-cyclo-[6.4.0.0(1,3)]dodecan-9-one.

Project description:The title compound, C16H24Br2O was synthesized by three steps from ?-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzo-cyclo-heptene), which was isolated from essential oil of the Atlas cedar (Cedrus atlantica). The mol-ecule is built up from a seven-membered ring to which a six- and a three-membered ring are fused. The six-membered ring shows a chair conformation. One C atom in the seven-membered ring and two methyl groups attached to the ring are disordered over two sets of sites, with an occupancy ratio of 0.658?(7):0.342?(7).

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(1S,3S,8R,9S,10R)-9,10-Ep-oxy-3,7,7,10-tetra-methyl-tri-cyclo-[6.4.0.0(1,3)]dodeca-ne.

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Absolute configuration of (1S,3R,8R)-10-bromo-methyl-2,2-di-chloro-3,7,7-tri-methyl-tri-cyclo-[6.4.0.0(1,3)]dodec-9-ene.

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Project description:The title compound, C16H22Cl2O, 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 is built up from fused six- and seven-membered rings and an additional three-membered ring arising from the reaction of himachalene with di-chloro-carbene. The six-membered ring has an envelope conformation, with the C atom belonging to the three-membered ring forming the flap, whereas the seven-membered ring displays a screw-boat conformation; the dihedral angle between the rings (all atoms) is 59.65 (14)°.

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(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.

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

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Poly[[tri-μ-cyanido-cyanido(1,4,10,13-tetra-oxa-7,16-diaza-cyclo-octa-deca-ne)barium(II)platinum(II)] hemihydrate].

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(1S*,3R*,5S*,7S*)-4,4,8,8-Tetra-chloro-1-isopropyl-5-methyl-tri-cyclo-[5.1.0.0(3,5)]octa-ne.

Publications

(1S*,3R*,5S*,7S*)-4,4,8,8-Tetra-chloro-1-isopropyl-5-methyl-tri-cyclo-[5.1.0.0(3,5)]octa-ne.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

(1S,3R,5S,7S)-4,4,8,8-Tetra-chloro-1-isopropyl-5-methyl-tri-cyclo-[5.1.0.0(3,5)]octa-ne.

(1S,3R,5S,7S)-4,4,8,8-Tetra-chloro-1-isopropyl-5-methyl-tri-cyclo-[5.1.0.0(3,5)]octa-ne.