3-[[(7R,10R,13S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl]sulfanyl]propanoic acid
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![3-[[(7R,10R,13S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl]sulfanyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6caafa8273044f05a84a5cb53e071134.png "3-[[(7R,10R,13S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl]sulfanyl]propanoic acid")
3-[[(7R,10R,13S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl]sulfanyl]propanoic acid
structure -
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CAS No:
121748-46-7
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Formula:
C24H34O5S
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Chemical Name:
3-[[(7R,10R,13S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl]sulfanyl]propanoic acid
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Synonyms:
7-mercaptopropionyldeoxycorticosterone;7-MP-DOC;deoxycorticosterone-7-mercaptopropionic acid;desoxycorticosterone-7-mercaptopropionic acid;121748-46-7;7-MP-Doc;DTXSID90923951;7-Mercaptopropionyldeoxycorticosterone;Deoxycorticosterone-7-mercaptopropionic acid;Desoxycorticosterone-7-mercaptopropionic acid;3-[(21-Hydroxy-3,20-dioxopregn-4-en-7-yl)sulfanyl]propanoic acid
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CAS No:
3-[[(7R,10R,13S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl]sulfanyl]propanoic acid Basic Attributes
434.6 g/mol
434.21269535 g/mol
Computed Properties
Molecular Weight:434.6
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:434.21269535
Monoisotopic Mass:434.21269535
Topological Polar Surface Area:117
Heavy Atom Count:30
Complexity:776
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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