Abstract
In the title compound, C(24)H(31)NO(2), ring B adopts a conformation between the boat and twisted-boat forms. This conformation best accommodates adverse intramolecular H.H interactions between the H atoms of the 7beta-substituent and the two nearest ring H atoms. The tilt angle between rings A and D is 28.6 (1) degrees.
MeSH terms
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Binding Sites
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Breast Neoplasms / diagnosis
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Breast Neoplasms / drug therapy
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Crystallography, X-Ray
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Estranes / chemical synthesis
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Estranes / chemistry*
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Estrone / analogs & derivatives
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Estrone / chemistry*
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Estrone / metabolism
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Female
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Humans
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Hydrogen Bonding
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Nitriles / chemistry*
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Nitriles / metabolism
Substances
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6-(3-Hydroxy-17-oxoestra-1,3,5(10)-trien-7beta-yl)hexanenitrile
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Estranes
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Nitriles
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Estrone