Acta Crystallographica Section C

Crystal Structure Communications

Volume 59, Part 2 (February 2003)

Acta Cryst. (2003). C59, o68-o70 [doi:10.1107/S0108270102023065]

Bis[14-hydroxy-3-O-(L-thevetosyl)-5-card-20(22)-enolide] methanol solvate monohydrate and 3-O-(L-2'-o-acetylthevetosyl)-14-hydroxy-5-card-20(22)-enolide

S. Chantrapromma, A. Usman, H.-K. Fun, S. Laphookhieo, C. Karalai, Y. Rat-a-pa and K. Chantrapromma

Abstract: The title compounds, 2C₃₀H₄₆O₈·CH₃OH·H₂O, (I), and C₃₂H₄₈O₉, (II), respectively, are cardenolide glycosides which were isolated from the seeds of Cerbera odollam. There are two crystallographically independent cardenolide molecules in (I), together with one methanol and one water solvate molecule. In both (I) and (II), the steroid nuclei are in cis/trans/cis configurations, with the cyclopentane rings showing conformational flexibility, viz. an envelope conformation in (I) and a twisted conformation in (II). In both compounds, the lactone ring is nearly orthogonal to the cyclopentane ring. The packing of (I) is composed of molecular layers stabilized by five O-HO hydrogen bonds. In the packing of (II), the molecules are packed into columns by one O-HO hydrogen bond, and are further interconnected into a three-dimensional network by one O-HO and three C-HO interactions.

Formula: 2C₃₀H₄₆O₈·CH₄O·H₂O and C₃₂H₄₈O₉

Online 18 January 2003


	Structure factor file (CIF format) (307.9 kbytes) Contains datablock I

	Structure factor file (CIF format) (169.7 kbytes) Contains datablock II

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