(3S,8S,9S,10R,13S,14S)-10,13-dimethyl-17-[(2S)-1-(2-methylpropylamino)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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![(3S,8S,9S,10R,13S,14S)-10,13-dimethyl-17-[(2S)-1-(2-methylpropylamino)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0127ec27d34e4f21b2893808ac5e15d2.png "(3S,8S,9S,10R,13S,14S)-10,13-dimethyl-17-[(2S)-1-(2-methylpropylamino)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol")
(3S,8S,9S,10R,13S,14S)-10,13-dimethyl-17-[(2S)-1-(2-methylpropylamino)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
structure -
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CAS No:
29588-39-4
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Formula:
C26H45NO
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Chemical Name:
(3S,8S,9S,10R,13S,14S)-10,13-dimethyl-17-[(2S)-1-(2-methylpropylamino)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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Synonyms:
23-azacholesterol;23-Azacholesterol;(3S,8S,9S,10R,13S,14S)-10,13-dimethyl-17-[(2S)-1-(2-methylpropylamino)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;29588-39-4;Pregn-5-en-3-ol, 20-methyl-21-((2-methylpropyl)amino)-, (3beta,20S)-
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CAS No:
(3S,8S,9S,10R,13S,14S)-10,13-dimethyl-17-[(2S)-1-(2-methylpropylamino)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Basic Attributes
387.6 g/mol
387.350115059 g/mol
Computed Properties
Molecular Weight:387.6
XLogP3:6.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:387.350115059
Monoisotopic Mass:387.350115059
Topological Polar Surface Area:32.3
Heavy Atom Count:28
Complexity:597
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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