3-[[(3S,10R,13S,15R)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl]sulfanyl]propanoic acid
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![3-[[(3S,10R,13S,15R)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl]sulfanyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/be1525ac6f6f45ccaaed67ae3ccb1510.png "3-[[(3S,10R,13S,15R)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl]sulfanyl]propanoic acid")
3-[[(3S,10R,13S,15R)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl]sulfanyl]propanoic acid
structure -
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CAS No:
75929-63-4
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Formula:
C22H32O4S
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Chemical Name:
3-[[(3S,10R,13S,15R)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl]sulfanyl]propanoic acid
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Synonyms:
15 beta-carboxyethylmercaptodehydroepiandrosterone;75929-63-4;15beta-Carboxyethylmercaptodehydroepiandrosterone;DTXSID20997302;3-[(3-Hydroxy-17-oxoandrost-5-en-15-yl)sulfanyl]propanoic acid;Propanoic acid, 3-(((3beta,15beta)-3-hydroxy-17-oxoandrost-5-en-15-yl)thio)-;3-[[(3S,10R,13S,15R)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl]sulfanyl]propanoic acid
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CAS No:
3-[[(3S,10R,13S,15R)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl]sulfanyl]propanoic acid Basic Attributes
392.6 g/mol
392.20213067 g/mol
Computed Properties
Molecular Weight:392.6
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:392.20213067
Monoisotopic Mass:392.20213067
Topological Polar Surface Area:99.9
Heavy Atom Count:27
Complexity:673
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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