3-Oxo-18α-olean-28,13β-olide

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3-Oxo-18α-olean-28,13β-olide

The title terpene, C(30)H(46)O(3), is a 28,13β-lactone of oleanolic acid prepared with bis-muth trifluoro-methane-sulfonate (OTf), Bi(OTf)(3)·xH(2)O. All rings are trans-fused. The X-ray study shows the inversion of the orientation of 18-H in the lactonization reaction. A quantum chemical ab-initio Roothaan Hartree-Fock calculation of the equilibrium geometry of the isolated mol-ecule gives val...

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The title triterpene, C(30)H(50)O(2), is an 18α-oleanane derivative prepared by the Wagner-Meerwein rearrangement of betulin with Bi(OTf)(3).xH(2)O (OTF is trifluoromethanesulfonate). There are two symmetry-independent mol-ecules in the asymmetric unit that show no significant differences concerning bond lengths and angles. The conformation of the six-membered rings is close to a chair form, wh...

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In the penta-cyclic triterpenoide skeleton of the title mol-ecule, C(27)H(43)NO(2) [systematic name: (3E,3aS,5aR,5bR,7aR,11R,11aR,11bR,13aR,13bR)-5a,5b,10,10,13b-penta-methyl-icosa-hydro-1H-11,7a-(epoxy-methano)cyclo-penta-[a]chrysen-3-one oxime], the five-membered ring A has an envelope conformation, while the six-membered rings B-E adopt chair conformations. Rings A and B are cis-fused. The h...

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Propargylaminyl 3α-hy­droxy-11-oxo-18β-olean-12-en-29-oate

The title compound, C(33)H(49)NO(3), is the propargyl-amide of 18β-glycyrrhetinic acid, a penta-cyclic triterpenoid of inter-est as a therapeutic agent. The five six-membered rings of the glycyrrhetinic acid moiety show normal geometries, with four rings in chair conformations and the unsaturated ring C in a half-chair conformation. In the crystal, the terminal N-propargylcarboxamide group has ...

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1-(3-Oxo-3-phenyl­prop­yl)piperidinium chloride

In the title salt, C14H20NO(+)·Cl(-), the piperidine ring adopts a chair conformation. In the crystal, the cations and anions are linked by classical N-H⋯Cl hydrogen bond and weak C-H⋯Cl and C-H⋯O hydrogen bonds; the C-H⋯O hydrogen bonds exhibit R 2 (2)(14) ring motifs while the C-H⋯Cl hydrogen bonds link the mol-ecules into chains along the a-axis direction. π-π stacking is observed between pa...

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ژورنال

عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online

سال: 2010

ISSN: 1600-5368

DOI: 10.1107/s160053681002903x