Structure of 11α-hydroxy-progesterone, C21H30O3

Zdzisław Gałdecki*, Paweł Grochulski, Zdzisław Wawrzak

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    1 Scopus citations

    Abstract

    The structure of the title compound, C21H30O3, was determined by X-rays. Mr=330.5, orthorhombic, P212121, a=8.4451(9), b=10.7074(8), c=20.1525(40) Å, V=1822(8) Å3, Z=4, Dx=1.205 mg m-3. Cu Kα radiation (1.54184 Å), μ(Cu Kα)=5.85 cm-1, F(000)=720. Final R=0.054 Rw=0.049 for 1774 unique reflections. The structure was solved using Multan. The A ring adopts an intermediate sofa-half-chair conformation and is bent toward the α face of the steroid skeleton. Rings B and C have typical chair conformations, and the D ring has a slightly distorted half-chair conformation. The progesterone side chain has a typical conformation, and the C16-C17-C20-O20 torsion angle is -17.9°. An intermolecular hydrogen bond is formed between the hydroxyl group and the progesterone side chain.

    Original languageEnglish (US)
    Pages (from-to)145-148
    Number of pages4
    JournalJournal of Crystallographic and Spectroscopic Research
    Volume20
    Issue number2
    DOIs
    StatePublished - Apr 1 1990

    ASJC Scopus subject areas

    • Structural Biology
    • Condensed Matter Physics
    • Spectroscopy

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