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Absolute configuration of (1R,3S,8R,11R)-3,7,7,10-tetra-methyl-tri-cyclo-[6.4.0.0(1,3)]dodec-9-en-11-ol.

ABSTRACT: The absolute configuration of the title compound, C16H26O, was determined as (1R,3S,8R,11R) based mainly on the synthetic pathway but is also implied by the X-ray analysis. The mol-ecule contains fused six- and seven-membered rings. Part of the seven-membered ring was refined as disordered over two sets of sites with the occupancy ratio fixed at 0.86:0.14. The disorder corresponds to a major chair conformation and a minor boat conforation. In the crysyal, O-H?O hydrogen bonds connect the mol-ecules into chains parallel to the a axis.

SUBMITTER: Abdoullah B

PROVIDER: S-EPMC3793796 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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Absolute configuration of (1R,3S,8R,11R)-3,7,7,10-tetra-methyl-tri-cyclo-[6.4.0.0(1,3)]dodec-9-en-11-ol.

Abdoullah Bimoussa B Aziz Auhmani A Ait Itto My Youssef MY Daran Jean-Claude JC Abdelwahed Auhmani A

Acta crystallographica. Section E, Structure reports online 20130724 Pt 8

The absolute configuration of the title compound, C16H26O, was determined as (1R,3S,8R,11R) based mainly on the synthetic pathway but is also implied by the X-ray analysis. The mol-ecule contains fused six- and seven-membered rings. Part of the seven-membered ring was refined as disordered over two sets of sites with the occupancy ratio fixed at 0.86:0.14. The disorder corresponds to a major chair conformation and a minor boat conforation. In the crysyal, O-H⋯O hydrogen bonds connect the mol-ecu ...[more]

PMID: 24109383

Similar Datasets

(1R,3S,8R)-3,7,7,10-Tetra-methyl-tri-cyclo-[6.4.0.0(1,3)]dodec-9-en-11-one.

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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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(1S,3R,8R)-2,2-Di-chloro-3,7,7,10-tetra-methyl-tri-cyclo-[6.4.0.0(1,3)]dodec-9-en-11-one.

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Absolute configuration of vouaca-pen-5?-ol.

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

Project description:The title compound, C17H26Br2, was synthesized from ?-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 asymmetric unit contains two independent mol-ecules with similar conformations. Each mol-ecule is built up from fused six- and seven-membered rings and two appended three-membered rings. In both mol-ecules, the six-membered ring has a screw boat conformation, whereas the seven-membered ring displays a boat conformation. No specific inter-molecular inter-actions were discerned in the crystal packing.

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

Project description:The title compound, C17H26Cl2, 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 asymmetric unit contains two independent mol-ecules with similar conformations. Each mol-ecule is built up from fused six- and seven-membered rings and two three-membered rings from the reaction of β-himachalene with di-chloro-carbene. In both mol-ecules, the six-membered ring has a half-chair conformation, whereas the seven-membered ring displays a boat conformation. The absolute configuration was established from anomalous dispersion effects.

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Diaqua-[(1R,2S,4R,8R,9S,11R)-2,9-di-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane]nickel(II) dichloride dihydrate.

Project description:The crystal structure of the title complex, [Ni(C(12)H(28)N(4))(H(2)O)(2)]Cl(2)·2H(2)O, displays O-H?Cl and O-H?O hydrogen bonding. The tetra-aza-cyclo-tetra-decane ligand inter-acts with the Ni(II) atom in the cis V configuration and the final two ligand binding sites are occupied by water.

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