title: Macrocalyxin I.
abstract: The title compound, 2-[1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-7-hydroxy-4b,8,8-trimethylphenanthren-2-yl]propenoic acid, C20H30O3, is a naturally occurring diterpenoid which was isolated from Rabdosia macrocalyx. The hydroxy and carboxy groups, which are located at the two ends of the molecule, both serve as simultaneous hydrogen-bond donors and acceptors. Two intermolecular O-H...O hydrogen bonds are present and link each molecule to four neighbours, thus forming an extensive hydrogen-bond network within the crystal.
authors.affiliation: Department of Chemistry, Zhejiang University, Hangzhou 310027, People's Republic of China.
authors.forename: Hao
authors.initials: H
authors.lastname: Shi
authors.forename: Yuan Jiang
authors.initials: YJ
authors.lastname: Pan
authors.forename: Shi Hua
authors.initials: SH
authors.lastname: Wu
authors.forename: Xiao Xiang
authors.initials: XX
authors.lastname: Zhang
mesh_terms: D018360:Crystallography, X-Ray; D004224:Diterpenes / Q000737:chemistry*; D006860:Hydrogen Bonding; D008958:Models, Molecular; D010946:Plants, Medicinal / Q000737:chemistry*
chemical_list: D004224:Diterpenes; C450026:macrocalyxin I