Structure of 6α-methyl-17α-hydroxyprogesterone butanoate, C26H38O4

Zdzisław Wawrzak*, Paweł Grochulski, Zdzisław Gałdecki, William L. Duax, Phyllis D. Strong, D. N. Kirk

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    Abstract

    The title compound crystallizes in space group P212121 with lattice constants a=16.253(3), b=17.107(3), and c=8.486(2) Å. The A ring has 1 α,2 β-half-chair conformation. The calculated steric energy of a 6 α-methyl-17 α-ester progesterone molecule is lower by about 4 kJ/mol for the normal A-ring conformation. The progesterone side chain has typical conformation for 17 α-ester steroids; the C(16)-C(17)-C(20)-O(20) torsion angle is -24.9(4)°.

    Original languageEnglish (US)
    Pages (from-to)649-652
    Number of pages4
    JournalJournal of Crystallographic and Spectroscopic Research
    Volume21
    Issue number5
    DOIs
    StatePublished - Oct 1 1991

    ASJC Scopus subject areas

    • Structural Biology
    • Condensed Matter Physics
    • Spectroscopy

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