Crystal structures of (5E,12E)-7β-acetoxy-15β-hydroxybertya-5,12-diene-3,14-dione and (5E,12E)-7β-acetoxybertya-5,12-diene-3,14-dione

Abstract

The crystal structures of the title compounds, C₂₂H₃₀O₅(I) and C₂₂H₃₀O₄(II), have been determined by X-ray diffraction by direct methods and refined by least squares to R 0.036 and 0.043 for 1 211 and 1 204 reflections respectively. Crystals of (I) and (II) are both orthorhombic, space group P2₁2₁2₁, Z= 4; for (I), a= 23.095(3), b= 10.987(1), c= 8.224(1)Å; for (II), a= 21.199(4), b= 11.160(3), c= 8.998(2)Å. The structure determinations confirm the stereochemistry previously assigned by other chemical and physical methods to the novel diterpene, bertyadionol.