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 wit...

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Veröffentlicht in:	Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2001-01, Vol.57 (Pt 1), p.64-65
Hauptverfasser:	HARPER, James K, DALLEY, N. Kent, MULGREW, Anna E, WEST, F. G, GRANT, David M
Format:	Artikel
Sprache:	eng
Schlagworte:	Antineoplastic Agents, Phytogenic - chemistry Condensed matter: structure, mechanical and thermal properties Crystallography, X-Ray Exact sciences and technology Heterocyclic compounds Models, Molecular Molecular Conformation Organic compounds Paclitaxel - analogs & derivatives Paclitaxel - chemistry Physics Structure of solids and liquids crystallography Structure of specific crystalline solids Taxoids
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Beschreibung
Zusammenfassung:	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.
ISSN:	0108-2701 1600-5759
DOI:	10.1107/S0108270100011781