Cas no 23325-86-2 (Pregn-4-ene-3,20-dione,17-(3-carboxy-1-oxopropoxy)-9-fluoro-11,21-dihydroxy-, (11b)- (9CI))

Pregn-4-ene-3,20-dione,17-(3-carboxy-1-oxopropoxy)-9-fluoro-11,21-dihydroxy-, (11b)- (9CI) structure
23325-86-2 structure
Product Name:Pregn-4-ene-3,20-dione,17-(3-carboxy-1-oxopropoxy)-9-fluoro-11,21-dihydroxy-, (11b)- (9CI)
CAS No:23325-86-2
MF:C25H33FO8
MW:480.5231320858
CID:262312
PubChem ID:31871
Update Time:2025-04-19

Pregn-4-ene-3,20-dione,17-(3-carboxy-1-oxopropoxy)-9-fluoro-11,21-dihydroxy-, (11b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 4-[2-(9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-4-oxobutanoic acid
    • Pregn-4-ene-3,20-dione,17-(3-carboxy-1-oxopropoxy)-9-fluoro-11,21-dihydroxy-, (11b)- (9CI)
    • DTXSID40274940
    • AGN-PC-0JF3RG
    • 23325-86-2
    • Inchi： 1S/C25H33FO8/c1-22-9-7-15(27)11-14(22)3-4-17-16-8-10-24(33,23(16,2)12-18(28)25(17,22)26)19(29)13-34-21(32)6-5-20(30)31/h11,16-18,28,33H,3-10,12-13H2,1-2H3,(H,30,31)
    • InChI Key： RRDDXLOWDKTRPZ-UHFFFAOYSA-N
    • SMILES： FC12C(CC3(C)C(C(COC(CCC(=O)O)=O)=O)(CCC3C1CCC1=CC(CCC21C)=O)O)O

Computed Properties

  • Exact Mass: 480.21599
  • Monoisotopic Mass: 480.21594617g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 7
  • Complexity: 961
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 7
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 138?2

Experimental Properties

  • PSA: 138.2

Pregn-4-ene-3,20-dione,17-(3-carboxy-1-oxopropoxy)-9-fluoro-11,21-dihydroxy-, (11b)- (9CI) Related Literature

23325-86-2 (Pregn-4-ene-3,20-dione,17-(3-carboxy-1-oxopropoxy)-9-fluoro-11,21-dihydroxy-, (11b)- (9CI)) Related Products

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