Crystal structure and Hirshfeld surface analysis of the naturally occurring cassane-type diterpenoid, 6β-cinnamoyl-7β-hy-droxy-vouacapen-5α-ol

Acta Crystallographica. Section E, Crystallographic Communications
K Osahon OgbeideSammer Yousuf

Abstract

The title compound, C29H36O5, a cassane-type diterpenoid {systematic name: (4aR,5R,6R,6aS,7R,11aS,11bR)-4a,6-dihy-droxy-4,4,7,11b-tetra-methyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodeca-hydro-phenanthro[3,2-b]furan-5-yl 3-phenyl-prop-2-enoate}, was isolated from a medicinally important plant, Caesalpinia pulcherrima (Fabaceae). In the mol-ecule, three cyclo-hexane rings are trans-fused and adopt chair, chair and half-chair conformations. In the crystal, mol-ecules are linked via O-H⋯O hydrogen bonds, forming a tape structure along the b-axis direction. The tapes are further linked into a double-tape structure through C-H⋯π inter-actions. The Hirshfeld surface analysis indicates that the contributions to the crystal packing are H⋯H (65.5%), C⋯H (18.7%), O⋯H (14.5%) and C⋯O (0.3%).

References

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Methods Mentioned

BETA
X-ray
column chromatography

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