Crystal-structure of (20r)-11-beta,20-dihydroxy-20-phenylpregn-4-en-3-one

Tinant, Bernard;Declercq, Jean-Paul;Bjelakovic, M.;Lorenc, L.;Mihailovic, L.
(1994) Societes Chimiques Belges. Bulletin — Vol. 103, n° 4, p. 157-161 (1994)

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  • Tinant, BernardUCLouvain
    Author
  • Declercq, Jean-PaulUCLouvain
    Author
  • Bjelakovic, M.
    Author
  • Lorenc, L.
    Author
  • Mihailovic, L.
    Author
Abstract
The Grignard reaction of 11 beta-hydroxy-3,3-(ethylenedioxy)-pregn-5-en-20-one (1) affords both epimers (20R) (2) and (20S) (3) of the hydroxy derivative. The configuration R at C20 is established for the predominant epimer by the determination of the X-ray structure of the deketalized analog 4. C27H36O3, M(r)=408.58, orthorhombic, P2(1)2(1)2(1), a = 30.009(11), b = 6.323(1), c = 12.182(9)Angstrom, V = 2312(2)Angstrom(3), Z=4,D-x=1.17 g.cm(-3), CuK alpha radiation (lambda = 1.5418 Angstrom). The final R indice is 0.079 for 2058 observed reflections.
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Tinant, B., Declercq, J.-P., Bjelakovic, M., Lorenc, L., & Mihailovic, L. (1994). Crystal-structure of (20r)-11-beta,20-dihydroxy-20-phenylpregn-4-en-3-one. Societes Chimiques Belges. Bulletin, 103(4), 157-161. https://doi.org/10.1002/bscb.19941030407 (Original work published 1994)