Acta Cryst. (2005). E61, o1239-o1241  [ doi:10.1107/S1600536805009773 ]

(20S)-2,3,12-Trihydroxydammar-24-ene 20-O--D-glucopyranoside (Gynosaponin TN1) as the 2.5-methanol solvate

V. Razmovski-Naumovski, R. K. Duke, P. Turner and C. C. Duke

Abstract: A crystal structure establishing the relative sterochemistry of the title compound, C₃₆H₆₂O₉·2.5CH₃OH, has been obtained from single-crystal X-ray diffraction data at 150 K. The relative stereochemistry is in accord with previous stereochemistry assignments based on mass spectroscopy and NMR spectroscopy. The asymmetric unit contains two crystallographically independent dammar-24-ene molecules, together with five methanol solvent molecules; one of the solvent molecules is disordered over two sites with occupancies of 0.5. Hydrogen bonds link the two dammar-24-ene molecules and the methanol molecules together into an intricate network, with donor-acceptor distances ranging from 2.646 (8) to 3.227 (3) Å.

Online 9 April 2005

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