3β - 四氢吡喃氧基 - 5α - 胆甾 - 20(21),24 - 二烯和3β - 四氢吡喃氧基 - 21 - 去甲 - 5α - 麦角甾 - 24 - 烯 - 20 - 酮的结构
Structures of 3 beta-tetrahydropyranyloxy-5 alpha-cholesta-20(21),24-diene and 3 beta-tetrahydropyranyloxy-21-nor-5 alpha-ergost-24-en-20-one.
作者信息
Van Engen D, Rahman M D, Yun A, Pascal R A
机构信息
Department of Chemistry, Princeton University, New Jersey 08544.
出版信息
Acta Crystallogr C. 1991 Dec 15;47 ( Pt 12):2591-4. doi: 10.1107/s0108270191006224.
3 beta-Tetrahydropyranyloxy-5 alpha-cholesta-20(21),24-diene: C32H52O2, Mr = 468.77, orthorhombic, P2(1)2(1)2(1), a = 6.710 (4), b = 11.361 (4), c = 37.812 (11) A, V = 2882 (2) A3, Z = 4, Dx = 1.08 g cm-3, lambda(Cu K alpha) = 1.54178 A, mu = 4.60 cm-1, F(000) = 1040, T = 224 K, final R = 0.088 for 1729 unique observed reflections. 3 beta-Tetrahydropyranyloxy-21-nor-5 alpha-ergost- 24-en-20-one: C32H52O3, Mr = 484.77, triclinic, P1, a = 6.640 (2), b = 9.589 (2), c = 12.202 (3) A, alpha = 111.33 (2), beta = 101.22, gamma = 90.27 (2) degrees, V = 707.4 (3) A3, Z = 1, Dx = 1.14 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 0.8 cm-1, F(000) = 268, T = 225 K, final R = 0.058 for 2208 unique observed reflections. The configuration at C(17) of these synthetic sterol derivatives, which had been uncertain, is unambiguously established to be 'normal' (possessing a 17 alpha-H).
3β - 四氢吡喃氧基 - 5α - 胆甾 - 20(21),24 - 二烯：C32H52O2，Mr = 468.77，正交晶系，P2(1)2(1)2(1)，a = 6.710 (4)，b = 11.361 (4)，c = 37.812 (11) Å，V = 2882 (2) Å3，Z = 4，Dx = 1.08 g cm-3，λ(Cu Kα) = 1.54178 Å，μ = 4.60 cm-1，F(000) = 1040，T = 224 K，对1729个独立观测反射的最终R = 0.088。3β - 四氢吡喃氧基 - 21 - 降 - 5α - 麦角甾 - 24 - 烯 - 20 - 酮：C32H52O3，Mr = 484.77，三斜晶系，P1，a = 6.640 (2)，b = 9.589 (2)，c = 12.202 (3) Å，α = 111.33 (2)，β = 101.22，γ = 90.27 (2)°，V = 707.4 (3) Å3，Z = 1，Dx = 1.14 g cm-3，λ(Mo Kα) = 0.71069 Å，μ = 0.8 cm-1，F(000) = 268，T = 225 K，对2208个独立观测反射的最终R = 0.058。这些合成甾醇衍生物在C(17)处的构型此前不确定，现已明确确定为“正常”（具有17α - H）。
Zotero 插件