2-[(3S,8S,9S,10R,13S,14S,16S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]acetonitrile
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![2-[(3S,8S,9S,10R,13S,14S,16S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]acetonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6a2b1f940f124e6792954035e3cab273.png "2-[(3S,8S,9S,10R,13S,14S,16S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]acetonitrile")
2-[(3S,8S,9S,10R,13S,14S,16S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]acetonitrile
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CAS No:
102812-95-3
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Formula:
C23H33NO2
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Chemical Name:
2-[(3S,8S,9S,10R,13S,14S,16S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]acetonitrile
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Synonyms:
PGAAN;pregnenolone 16 alpha-acetonitrile;pregnenolone 16-acetonitrile;102812-95-3;PGAAN;Pregnenolone 16-acetonitrile;Pregnenolone 16alpha-acetonitrile;DTXSID00908052;(3-Hydroxy-20-oxopregn-5-en-16-yl)acetonitrile;3beta-Hydroxy-20-oxopregn-5-ene-16alpha-acetonitrile;Pregn-5-ene-16-acetonitrile, 3-hydroxy-20-oxo-, (3beta,16alpha)-
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CAS No:
2-[(3S,8S,9S,10R,13S,14S,16S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]acetonitrile Basic Attributes
355.5 g/mol
355.251129295 g/mol
Computed Properties
Molecular Weight:355.5
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:355.251129295
Monoisotopic Mass:355.251129295
Topological Polar Surface Area:61.1
Heavy Atom Count:26
Complexity:688
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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