(3R,5S,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-17-carbonitrile
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![(3R,5S,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-17-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b6e4a780b41345e694ad7e07643b0836.png "(3R,5S,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-17-carbonitrile")
(3R,5S,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-17-carbonitrile
structure -
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CAS No:
151774-83-3
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Formula:
C19H29NO
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Chemical Name:
(3R,5S,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-17-carbonitrile
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Synonyms:
3-hydroxy-5-estrane-17-carbonitrile;3-hydroxy-5-estrane-17-carbonitrile, (3alpha,5alpha,17alpha)-isomer;3-OHECN;ACN;151774-83-3;3-Ohecn;3-Hydroxy-5-estrane-17-carbonitrile;CHEMBL3137934;3-Hydroxyestrane-17-carbonitrile;DTXSID10934342;ZINC13651656;3alpha-Hydroxy-5alpha-estrane-17beta-carbonitrile
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CAS No:
(3R,5S,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-17-carbonitrile Basic Attributes
287.4 g/mol
287.224914549 g/mol
Computed Properties
Molecular Weight:287.4
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:287.224914549
Monoisotopic Mass:287.224914549
Topological Polar Surface Area:44
Heavy Atom Count:21
Complexity:465
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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