3-Oxo-5α-cholestane-5-carbonitrile
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3-Oxo-5α-cholestane-5-carbonitrile
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CAS No:
1424-21-1
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Formula:
C28H45NO
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Chemical Name:
3-Oxo-5α-cholestane-5-carbonitrile
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Synonyms:
5.alpha.-Cholestane-5-carbonitrile, 3-oxo-;Cholestane-5-carbonitrile, 3-oxo-, (5.alpha.)-;5.alpha.-Cyanocholestan-3-one;3-Oxo-5alpha-cholestane-5-carbonitrile;3-Oxocholestane-5-carbonitrile, (5.alpha.)-;(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-5-carbonitrile
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CAS No:
Computed Properties
Molecular Weight:411.7
XLogP3:8.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:411.350115059
Monoisotopic Mass:411.350115059
Topological Polar Surface Area:40.9
Heavy Atom Count:30
Complexity:717
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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