2-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)acetonitrile
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![2-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)acetonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bc72e02651d146298d32ea4484271a49.png "2-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)acetonitrile")
2-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)acetonitrile
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CAS No:
38394-65-9
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Formula:
C21H31NO2
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Chemical Name:
2-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)acetonitrile
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Synonyms:
38394-65-9;3,17-dihydroxypregn-5-ene-21-nitrile;NSC124733;DTXSID70959314;AKOS002528876;MCULE-6230588507;NSC-124733;2-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)acetonitrile;A824240;SR-01000029961;SR-01000029961-1;2-[10,13-dimethyl-3,17-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanenitrile
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CAS No:
2-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)acetonitrile Basic Attributes
329.5 g/mol
329.235479232 g/mol
124733
Computed Properties
Molecular Weight:329.5
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:329.235479232
Monoisotopic Mass:329.235479232
Topological Polar Surface Area:64.2
Heavy Atom Count:24
Complexity:619
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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