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Molecular structures of four triterpenoids. X-ray crystallographic analysis of methyl 2α,3β,23α-triacetoxy-19α-hydroxyurs-12-en-28β-oate

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Abstract

A triterpenoid glycoside has been isolated from the roots of a herb used in traditional Chinese medicine. The molecular structure of this compound and its derivatives have been determined by spectroscopic studies and an X-ray analysis of the 2α,3β,23α-triacetoxy-28β-methyl ester of the aglycone. This aglycone belongs to the ursene structure series. The hydroxy group on ring E of these triterpenoids is α orientated and the side chains at C(2), C(3), C(4) and C(17) are α.,β, α andβ orientated, respectively. The C ring, which has a double bond at C(12)=C(13), adopts a sofa conformation.

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Cox, P.J., Durham, D.G., Liu, X. et al. Molecular structures of four triterpenoids. X-ray crystallographic analysis of methyl 2α,3β,23α-triacetoxy-19α-hydroxyurs-12-en-28β-oate. Journal of Crystallographic and Spectroscopic Research 23, 779–783 (1993). https://doi.org/10.1007/BF01247240

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  • DOI: https://doi.org/10.1007/BF01247240

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