(6α,11β)-21-(Acetyloxy)-6,9-difluoro-11-hydroxypregna-1,4,16-triene-3,20-dione
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(6α,11β)-21-(Acetyloxy)-6,9-difluoro-11-hydroxypregna-1,4,16-triene-3,20-dione
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CAS No:
2326-26-3
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Formula:
C23H26F2O5
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Chemical Name:
(6α,11β)-21-(Acetyloxy)-6,9-difluoro-11-hydroxypregna-1,4,16-triene-3,20-dione
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Synonyms:
Pregna-1,4,16-triene-3,20-dione,21-(acetyloxy)-6,9-difluoro-11-hydroxy-,(6α,11β)-;Pregna-1,4,16-triene-3,20-dione,6α,9-difluoro-11β,21-dihydroxy-,21-acetate;(6α,11β)-21-(Acetyloxy)-6,9-difluoro-11-hydroxypregna-1,4,16-triene-3,20-dione
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CAS No:
Description
6alpha,9-difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate is Yellow Solid
(6α,11β)-21-(Acetyloxy)-6,9-difluoro-11-hydroxypregna-1,4,16-triene-3,20-dione Basic Attributes
420.4463464
420.45
219-040-7
Characteristics
80.67000
2.97370
1.32g/cm3
209-210 °C
551.8ºC at 760mmHg
287.5ºC
1.563
1.77E-14mmHg at 25°C
(6α,11β)-21-(Acetyloxy)-6,9-difluoro-11-hydroxypregna-1,4,16-triene-3,20-dione Use and Manufacturing
11α, 17α, 21-trihydroxypregnen-4-ene-3, 20-dione (ie epihydrocortisone) can be acetylated by (21-hydroxyl group), (11-hydroxyl group) sulfonylated and Eliminate [removal of p-toluenesulfonic acid to form 9(11)-double bond], (17-position hydroxyl) acetylation, (6β-position) fluorination and hydrolysis to produce 6β-fluoro-17α, 21-dihydroxypregnancy Steroid-4, -9(11)-diene-3, 20-dione 17α, 21-diacetate, then epoxidized by transposition [to 6α-fluoro 9(11)-double bond] and (and Addition of hydrogen fluoride yields 6α, 9αdifluoro-11β, 17α, 21-trihydroxypregnant-4-ene-3, 20-dione 17α, 21-diacetate, which is finally eliminated (dehydrogenation to form 1- Double bond); (16, 17-position) elimination (deacetic acid) to obtain the product.
Steroidal isoxazolidine derivative used in the preparation of anti-inflammatory and antiallergic agents. A glucocorticoid.
Computed Properties
Molecular Weight:420.4
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:420.17483025
Monoisotopic Mass:420.17483025
Topological Polar Surface Area:80.7
Heavy Atom Count:30
Complexity:921
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(6α,11β)-21-(Acetyloxy)-6,9-difluoro-11-hydroxypregna-1,4,16-triene-3,20-dione
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