title: Crystal structure of (3S*,4S*,4aS*,5R*,6R*,6aS*,7R*,11aS*,11bR*)-5,6-bis(benzo-yloxy)-3,4a-dihy-droxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodeca-hydro-phenanthro[3,2-b]furan-4-carb-oxy-lic acid methanol monosolvate.
abstract: The title compound, C34H36O9·CH3OH, is a diterpenoid isolated from the roots of Caesalpinia pulcherrima (L.) Swartz. The three trans-fused six-membered rings are in chair, chair and half-chair conformations. The mean plane of this fused-ring system makes dihedral angles of 67.95 (15) and 83.72 (14)° with the two phenyl rings of the benzo-yloxy groups. An intra-molecular C-H⋯O hydrogen bond is observed. In the crystal, mol-ecules are linked via O-H⋯O hydrogen bonds, forming an infinite chain along the b-axis direction.
authors.affiliation: H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.
authors.forename: Sadaf
authors.initials: S
authors.lastname: Siddiqui
authors.affiliation: Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Benin, Benin City, Nigeria.
authors.forename: Osayemwenre
authors.initials: O
authors.lastname: Erharuyi
authors.affiliation: Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Benin, Benin City, Nigeria.
authors.forename: Abiodun
authors.initials: A
authors.lastname: Falodun
authors.affiliation: H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan ; Department of Biochemistry, Faculty of Science, King Abdul Aziz University, Jeddah-21412, Saudi Arabia.
authors.forename: M Iqbal
authors.initials: MI
authors.lastname: Choudhary
authors.affiliation: H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.
authors.forename: Sammer
authors.initials: S
authors.lastname: Yousuf
keywords: Caesalpinia pulcherrima; Pulcherrimin A; crystal structure; diterpenoid; hydrogen bonding