(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
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![(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b159fbad69f446d6923587f5bdc19f63.png "(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid")
(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
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CAS No:
7150-18-7
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Formula:
C22H32O4
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Chemical Name:
(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
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Synonyms:
7150-18-7;NSC72163;SCHEMBL9255255;ZINC4083863;(-)-3beta-Acetoxy-5-etienic acid;MFCD06495027;NSC-72163;AKOS025146349;MCULE-9076166215;(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid;3beta-acetoxyandrost-5-en-17beta-carboxylic;3beta-Acetoxyandrosta-5-ene-17beta-carboxylic acid
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CAS No:
(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid Basic Attributes
360.5 g/mol
360.23005950 g/mol
72163
Computed Properties
Molecular Weight:360.5
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:360.23005950
Monoisotopic Mass:360.23005950
Topological Polar Surface Area:63.6
Heavy Atom Count:26
Complexity:653
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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