10-Deacetyl baccatin III dimethyl sulfoxide disolvate.
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.
Harper
J K
JK
Department of Chemistry, University of Utah, 315 S. 1400 E. Rm. 1320, Salt Lake City, UT 84112, USA.
Dalley
N K
NK
Mulgrew
A E
AE
West
F G
FG
Grant
D M
DM
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
C425406:10-Deacetyl baccatin III dimethyl sulfoxide disolvate; D000972:Antineoplastic Agents, Phytogenic; D043823:Taxoids; D017239:Paclitaxel