(8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carbonitrile
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![(8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ab4d0aa3f4244138abe5d7f2762d702e.png "(8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carbonitrile")
(8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carbonitrile
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CAS No:
50304-31-9
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Formula:
C20H25NO2
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Chemical Name:
(8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carbonitrile
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Synonyms:
17beta-Hydroxy-3-methoxyestra-1,3,5(10)-triene-17-carbonitrile;C15062;CHEMBL4089354;CHEBI:79582;NSC75561;NSC-75561;50304-31-9;Q27148697
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CAS No:
Description
17beta-Hydroxy-3-methoxyestra-1,3,5(10)-triene-17-carbonitrile is a steroid. It derives from a hydride of an estrane.
(8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carbonitrile Basic Attributes
311.4 g/mol
311.188529040 g/mol
75561
Computed Properties
Molecular Weight:311.4
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:311.188529040
Monoisotopic Mass:311.188529040
Topological Polar Surface Area:53.2
Heavy Atom Count:23
Complexity:525
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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