4,5,7,8,17-Pentahydroxy-14,18-dimethyl-6-methylene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione methanol solvate dihydrate

4,5,7,8,17-Pentahydroxy-14,18-dimethyl-6-methylene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione methanol solvate dihydrate

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The title quassinoid compound, C20H24O9·CH3OH·2H2O, is a natural eurycomanone isolated from the roots of Eurycoma longifolia.The molecules contain a fused five-ring system, with one tetrahydrofuran ring adopting an envelope Zippo Lighter conformation, one tetrahydropyran-2-one ring in a screw boat conformation, one cyclohexenone ring in a half-chair conformation and two cyclohexane rings in chair conformations.Intramolecular C—H.O interactions generate S(5) ring Zester motifs and an O—H.O interaction generates an S(7) ring motif.

In the crystal, molecules are linked via intermolecular O—H.O interactions 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.