Acta Cryst. (2001). E57, o1158-o1160  [ doi:10.1107/S1600536801018773 ]

A taxane diterpenoid from the needles of Taxus wallichiana

S. K. Chattopadhyay, A. Sharon, U. Yadav, S. Srivastava, V. K. Mehta and P. R. Maulik

Abstract: The title compound, 10,13-deacetyl-abeo-baccatin IV, C₂₈H₄₀O₁₂, crystallized in space group P1. The molecular structure shows that the B/C ring junction is trans-fused, while the A ring is in a syn conformation with respect to the C ring and anti with respect to the D ring. The conformations of the individual rings differ from each other. The molecule as a whole adopts a cage-type folded conformation. Intra- and intermolecular O-HO and C-HO hydrogen bonds, together with van der Waals interactions, stabilize the crystal structure.

Online 10 November 2001

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