首页> 外文期刊>IUCrData >(3R,5S,7R,8R,9S,10S,12S,13R,14S)-10,13-Di-methyl-17-[5-oxo-5-(prop-2-yn-1-yl--oxy)pentan-2-yl]hexa-deca-hydro-1H-cyclo-penta[a]phenanthrene-3,7,12-triyl tri-acetate
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(3R,5S,7R,8R,9S,10S,12S,13R,14S)-10,13-Di-methyl-17-[5-oxo-5-(prop-2-yn-1-yl--oxy)pentan-2-yl]hexa-deca-hydro-1H-cyclo-penta[a]phenanthrene-3,7,12-triyl tri-acetate

机译:(3R,5S,7R,8R,9S,10S,12S,13R,14S)-10,13-二甲基-17- [5-氧代-5-(prop-2-yn-1-yl--oxy) )戊-2-基]六癸氢-1H-环戊[a]菲-3,7,12-三乙酸三酯

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摘要

In the title compound, C33H48O8, four terminal H atoms of cholic acid are replaced by three acetyl and one terminal alkyne group. All the acetyl residues are twisted with respect to the rings (A, B and C) to which they are attached. The cyclopentane ring D adopts an envelope conformation with the methylsubstituted C atom as the flap. Rings A, B and C have chair conformations. The dihedral angle between the mean planes of rings C and D is 4.70 (11). In the crystal, molecules are linked by C—HO hydrogen bonds, forming a threedimensional structure.
机译:在标题化合物C33H48O8中,胆酸的四个末端H原子被三个乙酰基和一个末端炔基取代。所有的乙酰基残基都相对于它们所连接的环(A,B和C)是扭曲的。环戊烷环D采用带有甲基取代的C原子作为侧翼的包络构象。环A,B和C具有椅子构型。环C和D的平均平面之间的二面角为4.70(11)。在晶体中,分子通过C-HO氢键连接,形成三维结构。

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