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

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

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

CAS No:
14668-11-2
Formula:
C29H49NO5
Chemical Name:
[(2S,3S,5S,10S,13S,17S)-2-acetyloxy-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;hydroxide
Synonyms:
14668-11-2;2-beta,17-beta-Diacetoxy-3-alpha-piperidino-5-alpha-androstane methohydroxide;Piperidinium, 1-(2-beta,17-beta-dihydroxy-5-alpha-androstan-3-alpha-yl)-1-methyl-, hydroxide, diacetate;DTXSID10932883;2,17-Bis(acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)androstane hydroxide

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

Molecular Weight：

491.7 g/mol

Exact Mass：

491.36107366 g/mol

Characteristics

PSA：

53.6 Å²

Computed Properties

Molecular Weight:491.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:491.36107366
Monoisotopic Mass:491.36107366
Topological Polar Surface Area:53.6
Heavy Atom Count:35
Complexity:806
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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