The molecular structure of 3β-acetoxy-2β-hydroxy-thujopsane, C17H28O3

The sesquiterpenoid 3β-acetoxy-2β-hydroxy-thujopsane forms orthorhombic crystals of space group P212121 with cell dimensions a = 7.547, b = 14.167, c = 14.783 A and Z = 4. The cyclohexane ring carrying the cyclopropane ring is approximately in a half chair conformation and the other ring is a slightly deformed chair. Two bonds of the cyclopropane ring are shortened (to 1.490 and 1.492 A) and one is lengthened (to 1.534 A), an uncommon phenomenon, which is assumed to be correlated with the position of the hydroxyl-oxygen atom with respect to the cyclopropane ring.