Cas no 56933-61-0 (Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxohexyl)oxy]-, (11b,16b)- (9CI))

Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxohexyl)oxy]-, (11b,16b)- (9CI) structure
56933-61-0 structure
Product Name:Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxohexyl)oxy]-, (11b,16b)- (9CI)
CAS No:56933-61-0
MF:C28H39FO6
MW:490.604072809219
CID:376409
PubChem ID:92580
Update Time:2025-04-19

Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxohexyl)oxy]-, (11b,16b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxohexyl)oxy]-, (11b,16b)- (9CI)
    • [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexanoate
    • 9-fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-hexanoate
    • (11beta,16beta)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl hexanoate
    • DTXSID60972370
    • EINECS 260-452-1
    • 56933-61-0
    • Dexamethasone-21-hexanoate
    • NS00053929
    • Inchi： 1S/C28H39FO6/c1-5-6-7-8-24(33)35-16-23(32)28(34)17(2)13-21-20-10-9-18-14-19(30)11-12-25(18,3)27(20,29)22(31)15-26(21,28)4/h11-12,14,17,20-22,31,34H,5-10,13,15-16H2,1-4H3/t17-,20-,21-,22-,25-,26-,27-,28-/m0/s1
    • InChI Key： KZMKFAJYVZNKJS-DGAWKMIRSA-N
    • SMILES： F[C@@]12[C@]3(C=CC(C=C3CC[C@H]1[C@@H]1C[C@H](C)[C@](C(COC(CCCCC)=O)=O)([C@@]1(C)C[C@@H]2O)O)=O)C

Computed Properties

  • Exact Mass: 490.273
  • Monoisotopic Mass: 490.273
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 8
  • Complexity: 973
  • 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: 4.4
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Density: 1.23
  • Boiling Point: 617°Cat760mmHg
  • Flash Point: 326.9°C
  • Refractive Index: 1.557

Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxohexyl)oxy]-, (11b,16b)- (9CI) Related Literature

56933-61-0 (Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxohexyl)oxy]-, (11b,16b)- (9CI)) Related Products

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