Cas no 1549-35-5 (Pregn-4-ene-3,20-dione,21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11b,16b)- (9CI))

Pregn-4-ene-3,20-dione,21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11b,16b)- (9CI) structure
1549-35-5 structure
Product Name:Pregn-4-ene-3,20-dione,21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11b,16b)- (9CI)
CAS No:1549-35-5
MF:C24H33FO6
MW:436.51363158226
CID:189888
PubChem ID:102142
Update Time:2025-04-19

Pregn-4-ene-3,20-dione,21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11b,16b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11b,16b)- (9CI)
    • 9-fluoro-11beta,17,21-trihydroxy-16beta-methylpregn-4-ene-3,20-dione 21-acetate
    • (11beta,16beta)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregn-4-en-21-yl acetate
    • 1549-35-5
    • SCHEMBL10629617
    • [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
    • EINECS 216-286-7
    • NS00047601
    • DTXSID10935091
    • 9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregn-4-en-21-yl acetate
    • Inchi： 1S/C24H33FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h10,13,17-19,28,30H,5-9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1
    • InChI Key： MOWWOWAMHCZEEC-QZIXMDIESA-N
    • SMILES： F[C@@]12[C@@]3(C)CCC(C=C3CC[C@H]1[C@@H]1C[C@H](C)[C@](C(COC(C)=O)=O)([C@@]1(C)C[C@@H]2O)O)=O

Computed Properties

  • Exact Mass: 436.22619
  • Monoisotopic Mass: 436.22611693g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 4
  • Complexity: 868
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • PSA: 100.9

Pregn-4-ene-3,20-dione,21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11b,16b)- (9CI) Related Literature

1549-35-5 (Pregn-4-ene-3,20-dione,21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11b,16b)- (9CI)) Related Products

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