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Home > Encyclopedia > (6α,11β)-21-(Acetyloxy)-6,9-difluoro-11-hydroxypregna-1,4,16-triene-3,20-dione

(6α,11β)-21-(Acetyloxy)-6,9-difluoro-11-hydroxypregna-1,4,16-triene-3,20-dione

(6α,11β)-21-(Acetyloxy)-6,9-difluoro-11-hydroxypregna-1,4,16-triene-3,20-dione structure

(6α,11β)-21-(Acetyloxy)-6,9-difluoro-11-hydroxypregna-1,4,16-triene-3,20-dione 

structure
  • CAS No:

    2326-26-3

  • Formula:

    C23H26F2O5

  • Chemical Name:

    (6α,11β)-21-(Acetyloxy)-6,9-difluoro-11-hydroxypregna-1,4,16-triene-3,20-dione

  • 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

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

Methods of 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.

Uses

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

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