16,17-Epoxy-3-hydroxy-16-methyl-pregn-9(11)-ene-20-one-3-acetate
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16,17-Epoxy-3-hydroxy-16-methyl-pregn-9(11)-ene-20-one-3-acetate
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CAS No:
13852-69-2
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Formula:
C24H34O4
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Chemical Name:
16,17-Epoxy-3-hydroxy-16-methyl-pregn-9(11)-ene-20-one-3-acetate
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Synonyms:
CTK4C1289;DTXSID50721596;16-Methyl-20-oxo-16,17-epoxypregn-9(11)-en-3-yl acetate;5a-Pregn-9(11)-en-20-one, 16a,17-epoxy-3b-hydroxy-16-methyl-, acetate(7CI,8CI)
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CAS No:
16,17-Epoxy-3-hydroxy-16-methyl-pregn-9(11)-ene-20-one-3-acetate Basic Attributes
386.532
386.24600
DTXSID50721596
16,17-Epoxy-3-hydroxy-16-methyl-pregn-9(11)-ene-20-one-3-acetate Use and Manufacturing
It can be obtained by reduction of Hecoginin by (3-hydroxyl) acetylation, [9(11)-position] dehydrogenation (formation of double bond), (12-keto group), and then through ring opening (Oxidation) hydrolysis, elimination, acetylation to prepare 3β-hydroxypregna-9(11), 16-diene-20-one-3-acetate, and then (16-position double bond with nitrosomethylurea ) Addition and elimination (introduction of 16β-methyl) (16-position double bond) epoxidation, (3-position hydroxyl) acetylation to prepare the product.
Intermediate of dexamethasone acetate.
Computed Properties
Molecular Weight:386.5
XLogP3:3.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:386.24570956
Monoisotopic Mass:386.24570956
Topological Polar Surface Area:55.9
Heavy Atom Count:28
Complexity:786
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
16,17-Epoxy-3-hydroxy-16-methyl-pregn-9(11)-ene-20-one-3-acetate
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