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16-Isopropyl-5,9-dimethyltetra-cyclo-[10.2.2.0.0]hexa-dec-15-ene-5,14-dicarboxylic acid ethanol hemisolvate.

ABSTRACT: In the title compound, C(23)H(34)O(4)·0.5C(2)H(6)O, which was isolated from acrylic modified rosin, the endocyclic compound adopts a tetra-cyclo-[10.2.2.01,10.04,9]hexa-decane structure. In the crystal, the components are linked by O-H?O and C-H? hydrogen bonds.

SUBMITTER: Wang HX

PROVIDER: S-EPMC2969219 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

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16-Isopropyl-5,9-dimethyltetra-cyclo-[10.2.2.0.0]hexa-dec-15-ene-5,14-dicarboxylic acid ethanol hemisolvate.

Wang Hong-Xiao HX Shang Shi-Bin SB Yin Yan-Bai YB Rao Xiao-Ping XP Xu Xu X

Acta crystallographica. Section E, Structure reports online 20090606 Pt 7

In the title compound, C(23)H(34)O(4)·0.5C(2)H(6)O, which was isolated from acrylic modified rosin, the endocyclic compound adopts a tetra-cyclo-[10.2.2.01,10.04,9]hexa-decane structure. In the crystal, the components are linked by O-H⋯O and C-H⋯ hydrogen bonds. ...[more]

PMID: 21582812

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16-Isopropyl-5,9-dimethyl-tetra-cyclo-[10.2.2.0.0]hexa-dec-15-ene-5,14-dimethanol.

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Project description:The title quassinoid compound, C(20)H(24)O(9)·CH(3)OH·2H(2)O, is a natural eurycomanone isolated from the roots of Eurycoma longifolia. The mol-ecules contain a fused five-ring system, with one tetra-hydro-furan ring adopting an envelope conformation, one tetra-hydro-pyran-2-one ring in a screw boat conformation, one cyclo-hexenone ring in a half-chair conformation and two cyclo-hexane rings in chair conformations. Intra-molecular C-H⋯O inter-actions generate S(5) ring motifs and an O-H⋯O inter-action generates an S(7) ring motif. In the crystal, mol-ecules are linked via inter-molecular O-H⋯O inter-actions along the b axis and further stacked along a axis. The absolute configuration of the title compound was inferred from previously solved structures of its analogues.

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