21-Acetyloxy-17-hydroxy-16-methylpregn-4-ene-3,20-dione
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21-Acetyloxy-17-hydroxy-16-methylpregn-4-ene-3,20-dione
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CAS No:
426-43-7
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Formula:
C24H34O5
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Chemical Name:
21-Acetyloxy-17-hydroxy-16-methylpregn-4-ene-3,20-dione
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Synonyms:
SCHEMBL11109164;CTK4I6492;DTXSID00551663;17-Hydroxy-16-methyl-3,20-dioxopregn-4-en-21-yl acetate;Pregn-4-ene-3,20-dione,17,21-dihydroxy-16-methyl-, 21-acetate, (16a)- (9CI)
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CAS No:
21-Acetyloxy-17-hydroxy-16-methylpregn-4-ene-3,20-dione Basic Attributes
402.531
402.241
DTXSID00551663
21-Acetyloxy-17-hydroxy-16-methylpregn-4-ene-3,20-dione Use and Manufacturing
It can be added and eliminated by 3β-hydroxypregna-5, 16-diene-20-one-3-acetate (ie pregnancy dienolone acetate via (16-position double bond and nitrosomethylurea) (Introduction of the 16-position methyl group), 16-position double bond epoxidation, (epoxy) ring opening (forming 17α-hydroxyl and 15-position double bond), (15-position double bond) catalytic hydrogenation and hydrolysis ( Removal of 3-position acetyl group), (3-position hydroxyl) oxidation (formation of 3-position ketone group, 5-position double bond to 4-position), (21-position) iodination, (iodine atom with acetoxy group) ) The product is made after replacement.
Intermediate of dexamethasone acetate.
Computed Properties
Molecular Weight:402.5
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:402.24062418
Monoisotopic Mass:402.24062418
Topological Polar Surface Area:80.7
Heavy Atom Count:29
Complexity:784
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
21-Acetyloxy-17-hydroxy-16-methylpregn-4-ene-3,20-dione
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