(8R,9S,13S,14S,17S)-17-[(benzylamino)methyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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![(8R,9S,13S,14S,17S)-17-[(benzylamino)methyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/42b814e5882449b796a9865c498b118b.png "(8R,9S,13S,14S,17S)-17-[(benzylamino)methyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol")
(8R,9S,13S,14S,17S)-17-[(benzylamino)methyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
structure -
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CAS No:
16669-05-9
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Formula:
C26H33NO2
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Chemical Name:
(8R,9S,13S,14S,17S)-17-[(benzylamino)methyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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Synonyms:
17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol;C15163;16669-05-9;SCHEMBL16782318;CHEBI:79681;NSC86468;NSC-86468;Q27148809;17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17 -diol;(8R,13R,17S)-17-((benzylamino)methyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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CAS No:
(8R,9S,13S,14S,17S)-17-[(benzylamino)methyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Basic Attributes
391.5 g/mol
391.251129295 g/mol
86468
Computed Properties
Molecular Weight:391.5
XLogP3:4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:391.251129295
Monoisotopic Mass:391.251129295
Topological Polar Surface Area:52.5
Heavy Atom Count:29
Complexity:575
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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