Abstract
The title compound [systematic name: 11β-hydroxy-24,25-epoxy-3,16-oxo-protost-13 (17)-en-23-yl acetate], C32H48O6, a protostane-type triterpenoid, was isolated from the Chinese herbal medicine alismatis rhizoma (the rhizome of Alisma orientalis Juzep). The molecule contains four trans-fused rings, viz. three six-membered and one five-membered ring. Two of the six-membered rings have slightly distorted half-chair conformations, while the third exhibits a chair conformation. The five-membered ring is almost planar. An intermolecular O—H⋯O hydrogen bond between the hydroxy and epoxy groups and intra- and intermolecular C—H⋯O hydrogen bonds are observed.
Highlights
The title compound [systematic name: 11 -hydroxy-24,25epoxy-3,16-oxo-protost-13 (17)-en-23-yl acetate], C32H48O6, a protostane-type triterpenoid, was isolated from the Chinese herbal medicine alismatis rhizoma
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IS2332)
Symmetry codes: (i) −x+1, y+1/2, −z+1/2; (ii) −x+2, y−1/2, −z+1/2
Summary
Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.004 A; R factor = 0.042; wR factor = 0.075; data-to-parameter ratio = 11.3. The title compound [systematic name: 11 -hydroxy-24,25epoxy-3,16-oxo-protost-13 (17)-en-23-yl acetate], C32H48O6, a protostane-type triterpenoid, was isolated from the Chinese herbal medicine alismatis rhizoma (the rhizome of Alisma orientalis Juzep). The molecule contains four trans-fused rings, viz. Two of the six-membered rings have slightly distorted half-chair conformations, while the third exhibits a chair conformation. An intermolecular O—HÁ Á ÁO hydrogen bond between the hydroxy and epoxy groups and intra- and intermolecular C—HÁ Á ÁO hydrogen bonds are observed. Orthorhombic, P212121 a = 7.6879 (3) Ab = 14.6555 (6) Ac = 26.9557 (10) A V = 3037.1 (2) A 3
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