Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16β)-
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![Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16β)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ca5a4bb8ab604459b8761b8329019abd.png "Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16β)-")
Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16β)-
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CAS No:
94135-27-0
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Formula:
C29H40O7
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Chemical Name:
Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16β)-
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Synonyms:
Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11β,16β)-;2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole,pregna-1,4-diene-3,20-dione deriv.
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CAS No:
Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16β)- Basic Attributes
500.6237
500.62
302-896-1
DTXSID90240751
Computed Properties
Molecular Weight:500.6
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:500.27740361
Monoisotopic Mass:500.27740361
Topological Polar Surface Area:99.1
Heavy Atom Count:36
Complexity:1060
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(phosphonooxy)-, sodium salt (1:2), (11β,16α)- Structure
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