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

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

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

CAS No:
17224-53-2
Formula:
C28H46BrNO3
Chemical Name:
[(2S,3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;bromide
Synonyms:
17224-53-2;1-(3-alpha-Hydroxy-20-oxo-5-alpha-pregnan-2-beta-yl)-1-methylpyrrolidinium bromide acetate;3-alpha-Acetoxy-2-beta-pyrrolidin-1'-yl-5-alpha-pregnan-20-one methobromide;Pyrrolidinium, 1-(3-alpha-hydroxy-20-oxo-5-alpha-pregnan-2-beta-yl)-1-methyl-, bromide, acetate;DTXSID70938109;3-(Acetyloxy)-2-(1-methylpyrrolidin-1-ium-1-yl)-20-oxopregnane bromide

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

Molecular Weight：

524.6 g/mol

Exact Mass：

523.26611 g/mol

Characteristics

PSA：

43.4 Å²

Computed Properties

Molecular Weight:524.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:523.26611
Monoisotopic Mass:523.26611
Topological Polar Surface Area:43.4
Heavy Atom Count:33
Complexity:773
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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