Cas no 2996-37-4 (Pregn-4-ene-3,20-dione,21-(acetyloxy)-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]-, (6a,16a)- (9CI))

Pregn-4-ene-3,20-dione,21-(acetyloxy)-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]-, (6a,16a)- (9CI) structure
2996-37-4 structure
Product Name:Pregn-4-ene-3,20-dione,21-(acetyloxy)-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]-, (6a,16a)- (9CI)
CAS No:2996-37-4
MF:C26H35FO6
MW:462.5509121418
CID:277722
PubChem ID:54609604
Update Time:2025-04-19

Pregn-4-ene-3,20-dione,21-(acetyloxy)-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]-, (6a,16a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,21-(acetyloxy)-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]-, (6a,16a)- (9CI)
    • Fluorocortexolone acetonide
    • 6alpha-Fluoroprednisolone acetate
    • 6alpha-Fluoroprednisolone-21-acetate
    • 6alpha-Fluprednisolone acetate
    • DTXSID70952385
    • 6alpha-Fluoro-16alpha-hydroxy-21-acetylcortexolone 16,17-acetonide
    • PREGN-4-ENE-3,20-DIONE, 6.ALPHA.-FLUORO-16.ALPHA.,17,21-TRIHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, ACETATE
    • NSC62352
    • Pregn-4-ene-3,20-dione, 21-(acetyloxy)-6-fluoro-16,17-((1-methylethylidene)bis(oxy))-, (6alpha,16alpha)-
    • Pregn-4-ene-3,20-dione, 6alpha-fluoro-16alpha,17,21-trihydroxy-, cyclic 16,17-acetal with acetone, 21-acetate
    • 2-(12-Fluoro-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl acetate
    • UNII-T717M6Z1NN
    • NSC-62352
    • Corticosterone, 11-deoxy-6alpha-fluoro-16alpha,17-dihydroxy-, cyclic 16,17-acetal with acetone, 21-acetate
    • Q27289752
    • 2996-37-4
    • CORTICOSTERONE, 11-DEOXY-6.ALPHA.-FLUORO-16.ALPHA.,17-DIHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, 21-ACETATE
    • Pregn-4-ene-3, 21-(acetyloxy)-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]-, (6.alpha.,16.alpha.)-
    • PREGN-4-ENE-3,20-DIONE, 6.ALPHA.-FLUORO-16.ALPHA.,17,21-TRIHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, 21-ACETATE
    • PREGN-4-ENE-3,20-DIONE, 21-(ACETYLOXY)-6-FLUORO-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (6.ALPHA.,16.ALPHA.)-
    • Pregn-4-ene-3,20-dione, 6alpha-fluoro-16alpha,17,21-trihydroxy-, cyclic 16,17-acetal with acetone, acetate
    • 6.ALPHA.-FLUORO-16.ALPHA.-HYDROXY-21-ACETYLCORTEXOLONE 16,17-ACETONIDE
    • T717M6Z1NN
    • Inchi： 1S/C26H35FO6/c1-14(28)31-13-21(30)26-22(32-23(2,3)33-26)12-18-16-11-20(27)19-10-15(29)6-8-24(19,4)17(16)7-9-25(18,26)5/h10,16-18,20,22H,6-9,11-13H2,1-5H3/t16-,17+,18+,20+,22-,24-,25+,26-/m1/s1
    • InChI Key： WGYLYGDCAAABJO-JVRSZONHSA-N
    • SMILES： F[C@@H]1C2=CC(CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@]4(C(COC(C)=O)=O)[C@@H](C[C@H]3[C@@H]2C1)OC(C)(C)O4)=O

Computed Properties

  • Exact Mass: 462.24200
  • Monoisotopic Mass: 462.241767
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 4
  • Complexity: 941
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 78.9
  • XLogP3: 3.1

Experimental Properties

  • Density: 1.24
  • Boiling Point: 556.2°Cat760mmHg
  • Flash Point: 279.5°C
  • Refractive Index: 1.544
  • PSA: 78.90000
  • LogP: 4.09870

Pregn-4-ene-3,20-dione,21-(acetyloxy)-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]-, (6a,16a)- (9CI) Related Literature

2996-37-4 (Pregn-4-ene-3,20-dione,21-(acetyloxy)-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]-, (6a,16a)- (9CI)) Related Products

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