3-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile
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![3-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c538b8ee9f474e469bd52146b030a4dc.png "3-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile")
3-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile
structure -
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CAS No:
53-44-1
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Formula:
C22H29NO2
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Chemical Name:
3-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile
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Synonyms:
UNII-1K4K9BIH91;RS-2196;1K4K9BIH91;53-44-1;3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile;NSC89843;NSC 89843;BRN 2165429;3-Methoxy-17-beta-cyanethoxyestra-1,3,5(10)-trien;3-Methoxy-17-beta-cyanethoxyoestra-1,3,5(10)-trien;DTXSID301018920;3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)propionitrile;NSC-89843;Q27252522;Propionitrile, 3-((3-methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-
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CAS No:
3-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile Basic Attributes
339.5 g/mol
339.219829168 g/mol
1K4K9BIH91
89843
Computed Properties
Molecular Weight:339.5
XLogP3:3.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:339.219829168
Monoisotopic Mass:339.219829168
Topological Polar Surface Area:42.2
Heavy Atom Count:25
Complexity:525
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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