17,21-Diacetyloxy-9-bromo-6-fluoro-11-hydroxypregn-4-ene-3,20-dione
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17,21-Diacetyloxy-9-bromo-6-fluoro-11-hydroxypregn-4-ene-3,20-dione
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CAS No:
54604-74-9
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Formula:
C25H32BrFO7
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Chemical Name:
17,21-Diacetyloxy-9-bromo-6-fluoro-11-hydroxypregn-4-ene-3,20-dione
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Synonyms:
CTK5A1868;DTXSID30722208;9-Bromo-6-fluoro-11-hydroxy-3,20-dioxopregn-4-ene-17,21-diyl diacetate;17,21-DIACETYLOXY-9-BROMO-6-FLUORO-11-HYDROXYPREGN-4-ENE-3,20-DIONE
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CAS No:
17,21-Diacetyloxy-9-bromo-6-fluoro-11-hydroxypregn-4-ene-3,20-dione Basic Attributes
543.4
542.13154
DTXSID30722208
17,21-Diacetyloxy-9-bromo-6-fluoro-11-hydroxypregn-4-ene-3,20-dione Use and Manufacturing
16α, 17α-epoxy-11α-hydroxypregna-4-ene-3, 20-dione can be (11α-hydroxy) sulfonylated and eliminated [form 9(11)-double bond], (epoxy group) Ring-opening and debromination with hydrogen bromide (forming 17α-hydroxyl), (21-position) iodination, (iodine atom is replaced by acetoxy), (17-hydroxyl) acetylation, [9(11)-position Double bond hypobromous acid] addition and other steps.
Intermediate of Acetyl Acetate.
Computed Properties
Molecular Weight:543.4
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:542.13154
Monoisotopic Mass:542.13154
Topological Polar Surface Area:107
Heavy Atom Count:34
Complexity:980
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
17,21-Diacetyloxy-9-bromo-6-fluoro-11-hydroxypregn-4-ene-3,20-dione
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