9,11-Epoxypregn-4-ene-17,21-diol-3,20-dione21-acetate
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9,11-Epoxypregn-4-ene-17,21-diol-3,20-dione21-acetate
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CAS No:
4383-30-6
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Formula:
C23H30O6
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Chemical Name:
9,11-Epoxypregn-4-ene-17,21-diol-3,20-dione21-acetate
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Synonyms:
NSC24231;17-hydroxy-3,20-dioxo-9,11-epoxypregn-4-en-21-yl acetate;DTXSID80963124;NSC-24231;NSC226134;NSC-226134;Pregn-4-en-17,21-diol-9.11-epoxy-3,20-dione, 21-acetate(ester);2-(7-Hydroxy-4a,6a-dimethyl-2-oxo-2,3,4,4a,5a,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[7,8]phenanthro[4b,5-b]oxiren-7-yl)-2-oxoethyl acetate #
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CAS No:
9,11-Epoxypregn-4-ene-17,21-diol-3,20-dione21-acetate Use and Manufacturing
11α, 17α, 21-trihydroxypregna-4-ene-3, 20-dione (ie epihydrocortisone) can be acetylated (21-hydroxyl), (11-hydroxy) sulfonylated and combined Elimination, the formation of 9(11) double bond, [9(11)-double bond and hypobromous acid] addition, then epoxidation, (21-position hydroxyl) acetylation to prepare the product.
Intermediate of fludrocortisone acetate.
Computed Properties
Molecular Weight:402.5
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:402.20423867
Monoisotopic Mass:402.20423867
Topological Polar Surface Area:93.2
Heavy Atom Count:29
Complexity:846
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
9,11-Epoxypregn-4-ene-17,21-diol-3,20-dione21-acetate
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