[2-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate
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![[2-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fdc5c5f8d1b346afb47f58a825d2e00f.png "[2-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate")
[2-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate
structure -
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CAS No:
52036-29-0
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Formula:
C21H28O8S
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Chemical Name:
[2-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate
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Synonyms:
aldosterone 21-sulfate;52036-29-0;Aldosterone 21-sulfate;SCHEMBL8459622;DTXSID20966391;11-Hydroxy-3,18,20-trioxopregn-4-en-21-yl hydrogen sulfate;Pregn-4-en-18-al, 11-hydroxy-3,20-dioxo-21-(sulfooxy)-, (11beta)-
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CAS No:
[2-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate Basic Attributes
440.5 g/mol
440.15048902 g/mol
Computed Properties
Molecular Weight:440.5
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:440.15048902
Monoisotopic Mass:440.15048902
Topological Polar Surface Area:143
Heavy Atom Count:30
Complexity:903
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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