2-[(8S,9S,10S,11S,13S,14S,17R)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate
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![2-[(8S,9S,10S,11S,13S,14S,17R)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ad1ac80818504305970bc6960137699a.png "2-[(8S,9S,10S,11S,13S,14S,17R)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate")
2-[(8S,9S,10S,11S,13S,14S,17R)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate
structure -
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CAS No:
121699-10-3
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Formula:
C21H32O7S
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Chemical Name:
2-[(8S,9S,10S,11S,13S,14S,17R)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate
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Synonyms:
3,5-tetrahydroaldosterone sulfate;3,5-tetrahydroaldosterone sulfate, (3beta,5alpha,11beta)-isomer;THAS;121699-10-3;THAS;3,5-Tetrahydroaldosterone sulfate;DTXSID50923932;2-[(8S,9S,10S,11S,13S,14S,17R)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate;11-Hydroxy-3,18-dioxopregnan-21-yl hydrogen sulfate
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CAS No:
2-[(8S,9S,10S,11S,13S,14S,17R)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate Basic Attributes
428.5 g/mol
428.18687453 g/mol
Computed Properties
Molecular Weight:428.5
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:428.18687453
Monoisotopic Mass:428.18687453
Topological Polar Surface Area:126
Heavy Atom Count:29
Complexity:774
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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