Absolute configuration of methyl isoeichlerialactone

Abstract

The title compound, C28H44O4·0.56H2O, is a co-crystal of methyl isoeichlerialactone monohydrate as the major component and methyl isoeichlerialactone as the minor component in a 0.55778 (3):0.44222 (3) ratio. The conformations of both components are identical except for that of the –COOCH3 group of the methyl propanoate side chain on the cyclo­hexane ring which is positionally disordered over two orientations. The mol­ecule of methyl isoeichlerialactone has three fused rings and all rings are trans-fused. The two cyclo­hexane rings are in standard chair conformations and the cyclo­pentane ring adopts an envelope conformation. In the crystal, weak C—H⋯O inter­actions link methyl isoeichlerialactone mol­ecules into screw chains along [010]. The crystal structure is further stabilized by O—H⋯O hydrogen bonds and weak C—H⋯O inter­actions.