Crystal Research and Technology
Cryst. Res. Technol. 36 (2001) 493 - Abstract -

T. Hökelek, E. Kiliç*, A. Öktemer*

Hacettepe University, Department of Physics, Beytepe-Ankara, Turkey
*Ankara University, Department of Chemistry, Tandogan-Ankara, Turkey

Crystal Structure of ent-7 α , 18-Diacetoxykaur-16-ene (Epicandicandioldiacetate)

The title compound (C24H36O4) crystallizes in the orthorhombic space group P212121 with a=6.250(1) Å, b=13.676(1) Å, c=25.419(2) Å, V=2172.7(1) Å3, Z=4, Dx=1.19 g.cm-3. The structure was solved by direct methods and refined by full-matrix least-squares method (R=0.076). The title molecule is an ent-kaurene diterpene containing two acetoxy groups at positions C7 and C18, The ring junction A-B is in trans, while B-C is in cis. The rings A and B have chair conformations, while ring C has a twist conformation but the conformation of ring D is nearer to an envelope.

Keywords: ent-kaurene, diterpene, epicandicandioldiacetate, sideritis sipylea Boiss, crystal structure, diacetoxykaur-16-ene


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