6α-甲基-3,20-二氧代-1,4,9(11)-孕三烯-17α-基乙酸酯的结构
Structure of 6 alpha-methyl-3,20-oxo-1,4,9(11)-pregnatrien-17 alpha-yl acetate.
作者信息
Gałdecki Z, Grochulski P, Wawrzak Z, Duax W L, Strong P D
机构信息
Technical University of Lódź, Institute of General Chemistry, Poland.
出版信息
Acta Crystallogr C. 1990 Aug 15;46 ( Pt 8):1498-500. doi: 10.1107/s0108270189012291.
C24H30O4, Mr = 382.5, orthorhombic, P2(1)2(1)2(1), a = 13.091 (2), b = 19.711 (1), c = 8.242 (1) A, V = 2126.7 (5) A3, Z = 4, Dx = 1.195 Mg m-3, lambda(Cu K alpha) = 1.54184 A, mu(Cu K alpha) = 0.56 mm-1, F(000) = 824, T = 295 K. Final R = 0.045 for 2446 unique reflections. The planar A ring is bent relative to the rest of the steroid skeleton. The B ring has a typical chair conformation and the C and D rings assume 13 beta,14 alpha-half-chair and 13 beta-envelope conformations, respectively. The conformation of the progesterone side chain is similar to the conformation observed in other 17 alpha-ester pregnanes: C16-C17-C20-O20 torsion angle -27.4 (3) degrees.
C24H30O4，Mr = 382.5，正交晶系，P2(1)2(1)2(1)，a = 13.091(2)，b = 19.711(1)，c = 8.242(1)埃，V = 2126.7(5)埃³，Z = 4，Dx = 1.195 Mg m⁻³，λ(Cu Kα) = 1.54184埃，μ(Cu Kα) = 0.56 mm⁻¹，F(000) = 824，T = 295 K。对2446个独立反射，最终R = 0.045。平面A环相对于甾体骨架的其余部分是弯曲的。B环具有典型的椅式构象，C环和D环分别呈13β,14α-半椅式和13β-信封式构象。孕酮侧链的构象与在其他17α-酯孕烷中观察到的构象相似：C16 - C17 - C20 - O20扭转角为 - 27.4(3)度。
Zotero 插件