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

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?? 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%).

SUBMITTER: Ogbeide KO 

PROVIDER: S-EPMC5947809 | biostudies-literature | 2018 Mar

REPOSITORIES: biostudies-literature