Cas no 52619-02-0 (Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11b,16b)- (9CI))

Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11b,16b)- (9CI) structure
52619-02-0 structure
Product Name:Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11b,16b)- (9CI)
CAS No:52619-02-0
MF:C27H37FO6
MW:476.57749247551
CID:379183
PubChem ID:104261
Update Time:2025-04-19

Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11b,16b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (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] 2,2-dimethylpropanoate
    • 9-fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-pivalate
    • (11beta,16beta)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl 2,2-dimethylpropanoate
    • NS00057632
    • EINECS 258-049-0
    • DTXSID001109865
    • 52619-02-0
    • Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11beta,16beta)-
    • Inchi： 1S/C27H37FO6/c1-15-11-19-18-8-7-16-12-17(29)9-10-24(16,5)26(18,28)20(30)13-25(19,6)27(15,33)21(31)14-34-22(32)23(2,3)4/h9-10,12,15,18-20,30,33H,7-8,11,13-14H2,1-6H3/t15-,18-,19-,20-,24-,25-,26-,27-/m0/s1
    • InChI Key： XMQRFWOHEPJZPS-WDTKEXHNSA-N
    • SMILES： F[C@@]12[C@]3(C=CC(C=C3CC[C@H]1[C@@H]1C[C@H](C)[C@](C(COC(C(C)(C)C)=O)=O)([C@@]1(C)C[C@@H]2O)O)=O)C

Computed Properties

  • Exact Mass: 476.257
  • Monoisotopic Mass: 476.257
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 5
  • Complexity: 994
  • 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
  • Surface Charge: 0
  • Tautomer Count: 6
  • XLogP3: nothing
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Density: 1.24
  • Boiling Point: 598.6°C at 760 mmHg
  • Flash Point: 315.8°C
  • Refractive Index: 1.559

Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11b,16b)- (9CI) Related Literature

52619-02-0 (Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11b,16b)- (9CI)) Related Products

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