Crystal and molecular structure of synthetic cholesterol compounds vitamin D3-analogues (I) 24(S)-hydroxy coprastan-3-one & (II) 24(R)-hydroxy coprastan-3-one

被引:0
作者
Rajalakshmi, K
Pattabhi, V
Venkatesan, CS
Nadamuni, G
Srikrishna, A
机构
[1] Univ Madras, Dept Crystallog & Biophys, Madras 600025, Tamil Nadu, India
[2] MS Gland Pharma Ltd, Hyderabad 500016, Andhra Pradesh, India
[3] Indian Inst Sci, Dept Organ Chem, Bangalore 560012, Karnataka, India
来源
MOLECULAR CRYSTALS AND LIQUID CRYSTALS | 2001年 / 369卷
关键词
vitamin D3 analogues; crystal structure; cholestrol; compounds; steroids; chair conformation;
D O I
10.1080/10587250108030021
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The title compound I (24-(S)-Hydroxy Coprastan-3-one) crystallises in orthorhombic space group P2(1)2(1)2(1) with Z = 4. The unit cell dimensions are a = 6.701(2)Angstrom, b = 11.506(8)Angstrom, c = 32.183(4)Angstrom, V = 2481(2)Angstrom (3), D-cal = 1.077 Mg/m(3). The tide compound II (24-(R)-Hydroxy Coprastan-3-one) crystallises in orthorhombic space group P212121 with two molecules per assymetric unit and with Z = 8. The Unit cell dimensions are a = 10.954(2)Angstrom, b = 21.757(6)Angstrom, c = 21.130(7)Angstrom, V = 5035.0(2)Angstrom (3), D-cal = 1.062 Mg/m(3). In compound I and in both the molecules of compound II, the rings A, B & C are in chair conformation and the five membered ring D is in envelope conformation. The priority sequence attached to the chiral carbon C24 has "S" designation in compound I and "R" designation in compound II. The structures are stabilized by C-H . . .O and O-H---O hydrogen bonds.
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页码:243 / 271
页数:29
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