title: 10-Deacetyl baccatin III dimethyl sulfoxide disolvate.
abstract: The title compound, C29H36O10.2C2H6OS, forms a monoclinic crystal containing two hydrogen-bonded dimethyl sulfoxide molecules per 10-deacetyl baccatin III. The lattice is further stabilized by two additional hydrogen bonds and a dipole-dipole interaction. A comparison of 10-deacetyl baccatin III with the structurally similar docetaxel reveals differences primarily in the benzoyl moiety, while comparisons to baccatin III identify relative differences principally in the cyclooctane- and cyclohexane-ring conformations.
authors.affiliation: Department of Chemistry, University of Utah, 315 S. 1400 E. Rm. 1320, Salt Lake City, UT 84112, USA.
authors.forename: J K
authors.initials: JK
authors.lastname: Harper
authors.forename: N K
authors.initials: NK
authors.lastname: Dalley
authors.forename: A E
authors.initials: AE
authors.lastname: Mulgrew
authors.forename: F G
authors.initials: FG
authors.lastname: West
authors.forename: D M
authors.initials: DM
authors.lastname: Grant
mesh_terms: D000972:Antineoplastic Agents, Phytogenic / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D008968:Molecular Conformation; D017239:Paclitaxel / Q000031:analogs & derivatives / Q000737:chemistry*; D043823:Taxoids
chemical_list: C425406:10-Deacetyl baccatin III dimethyl sulfoxide disolvate; D000972:Antineoplastic Agents, Phytogenic; D043823:Taxoids; D017239:Paclitaxel