Cas no 2820-92-0 (Pregn-4-ene-3,20-dione,9-fluoro-17,21-dihydroxy-, 21-acetate (7CI,8CI))

Pregn-4-ene-3,20-dione,9-fluoro-17,21-dihydroxy-, 21-acetate (7CI,8CI) structure
2820-92-0 structure
Product Name:Pregn-4-ene-3,20-dione,9-fluoro-17,21-dihydroxy-, 21-acetate (7CI,8CI)
CAS No:2820-92-0
MF:C23H31FO5
MW:406.487651109695
CID:277185
PubChem ID:253093
Update Time:2025-04-19

Pregn-4-ene-3,20-dione,9-fluoro-17,21-dihydroxy-, 21-acetate (7CI,8CI) Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,9-fluoro-17,21-dihydroxy-, 21-acetate (7CI,8CI)
    • [2-[(8S,9R,10S,13S,14S,17R)-9-fluoro-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
    • 9-fluoro-17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate
    • AC1L5NEI
    • AC1Q62MV
    • AG-K-31678
    • AR-1H5616
    • Corticosterone,11-deoxy-9-fluoro-17-hydroxy-, 21-acetate (6CI)
    • CTK4G1014
    • NSC75532
    • NSC-75532
    • DTXSID80291439
    • 2820-92-0
    • Inchi： 1S/C23H31FO5/c1-14(25)29-13-19(27)23(28)9-7-17-18-5-4-15-12-16(26)6-8-20(15,2)22(18,24)11-10-21(17,23)3/h12,17-18,28H,4-11,13H2,1-3H3/t17-,18-,20-,21-,22+,23-/m0/s1
    • InChI Key： LKOGXABWPMYTKE-WBZLUPOGSA-N
    • SMILES： F[C@]12CC[C@]3(C)[C@@](C(COC(C)=O)=O)(CC[C@H]3[C@@H]1CCC1=CC(CC[C@]21C)=O)O

Computed Properties

  • Exact Mass: 406.21563
  • Monoisotopic Mass: 406.216
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 4
  • Complexity: 805
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 80.7?2

Experimental Properties

  • Density: 1.24
  • Boiling Point: 536.7°Cat760mmHg
  • Flash Point: 278.4°C
  • Refractive Index: 1.549
  • PSA: 80.67
  • LogP: 3.47370

Pregn-4-ene-3,20-dione,9-fluoro-17,21-dihydroxy-, 21-acetate (7CI,8CI) Related Literature

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