 Home > Encyclopedia > [(2S,3S,5S,8R,9S,10S,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13,16-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]-trimethylazanium;bromide

[(2S,3S,5S,8R,9S,10S,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13,16-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]-trimethylazanium;bromide

[(2S,3S,5S,8R,9S,10S,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13,16-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]-trimethylazanium;bromide structure

CAS No:
17224-50-9
Formula:
C25H44BrNO2
Chemical Name:
[(2S,3S,5S,8R,9S,10S,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13,16-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]-trimethylazanium;bromide
Synonyms:
17224-50-9;(3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide;2-beta-Dimethylamino-3-alpha-hydroxy-16-alpha-methyl-5-alpha-pregnan-20-one methobromide;Ammonium, (3-alpha-hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethyl-, bromide;DTXSID10938108;3-Hydroxy-N,N,N,16-tetramethyl-20-oxopregnan-2-aminium bromide

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[(2S,3S,5S,8R,9S,10S,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13,16-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]-trimethylazanium;bromide Basic Attributes

Molecular Weight：

470.5 g/mol

Exact Mass：

469.25554 g/mol

Characteristics

PSA：

37.3 Å²

Computed Properties

Molecular Weight:470.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:469.25554
Monoisotopic Mass:469.25554
Topological Polar Surface Area:37.3
Heavy Atom Count:29
Complexity:639
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of [(2S,3S,5S,8R,9S,10S,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13,16-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]-trimethylazanium;bromide

Basic Attributes
Characteristics
Computed Properties

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