title: Low temperature crystal structure of natural diosgenone.
abstract: The molecular structure of diosgenone, a natural steroidal sapogenin, closely related to diosgenin and isolated from Solanum nudum, was solved by single crystal X-ray diffractometry at 120 K and refined by full-matrix least-squares to an agreement factor, R1 = 0.054. It crystallizes in the monoclinic space group P2(1), with a = 15.1870(4) A, b = 7.2710(2) A, c = 21.2840(6) A, beta = 99.251(1) degrees, and four molecules in the unit cell (Z = 4). The results constitute the first structural report on a steroidal sapogenin from the diosgenin group.
authors.affiliation: Departamento di Física and Instituto IFLP (CONICET), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Argentina.
authors.forename: Oscar E
authors.initials: OE
authors.lastname: Piro
authors.forename: Eduardo E
authors.initials: EE
authors.lastname: Castellano
authors.forename: Gloria E
authors.initials: GE
authors.lastname: Tobón Zapata
authors.forename: Silvia
authors.initials: S
authors.lastname: Blair Trujillo
authors.forename: Enrique J
authors.initials: EJ
authors.lastname: Baran
mesh_terms: D018360:Crystallography, X-Ray / Q000379:methods; D005615:Freezing; D008958:Models, Molecular; D008968:Molecular Conformation; D012502:Sapogenins / Q000737:chemistry* / Q000302:isolation & purification; D032322:Solanum / Q000737:chemistry*; D013141:Spiro Compounds / Q000737:chemistry* / Q000302:isolation & purification; D014315:Triterpenes / Q000737:chemistry* / Q000302:isolation & purification; D014961:X-Ray Diffraction / Q000379:methods
chemical_list: D012502:Sapogenins; D013141:Spiro Compounds; D014315:Triterpenes; C469690:diosgenone