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Methyl 2-(3a,8a-dimethyl-4-oxodeca-hydro-azulen-6-yl)acrylate.

ABSTRACT: The title compound, C(16)H(24)O(3), was synthesized from ilicic acid, which was isolated from the aerial part of Inula viscosa- (L) Aiton [or Dittrichia viscosa- (L) Greuter]. The asymmetric unit contains two independent mol-ecules, in each of which the seven-membered ring shows a chair conformation, whereas the five-membered ring presents disorder. In the two molecules, three C atoms in the five-membered ring are disordered over two positions with site-occupancy factors of 0.53/0.47 and 0.83/0.17. The dihedral angle between the two rings is different in the two mol-ecules [31.7?(3) and 47.7?(7)°]. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen-bond inter-actions.

SUBMITTER: Tebbaa M

PROVIDER: S-EPMC3213619 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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Methyl 2-(3a,8a-dimethyl-4-oxodeca-hydro-azulen-6-yl)acrylate.

Tebbaa Mohamed M Benharref Ahmed A Berraho Moha M Daran Jean Claude JC Akssira Mohamed M Elhakmaoui Ahmed A

Acta crystallographica. Section E, Structure reports online 20110730 Pt 8

The title compound, C(16)H(24)O(3), was synthesized from ilicic acid, which was isolated from the aerial part of Inula viscosa- (L) Aiton [or Dittrichia viscosa- (L) Greuter]. The asymmetric unit contains two independent mol-ecules, in each of which the seven-membered ring shows a chair conformation, whereas the five-membered ring presents disorder. In the two molecules, three C atoms in the five-membered ring are disordered over two positions with site-occupancy factors of 0.53/0.47 and 0.83/0. ...[more]

PMID: 22091196

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