Cas no 15423-85-5 (9-Fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-valerate)

9-Fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-valerate structure
15423-85-5 structure
Product Name:9-Fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-valerate
CAS No:15423-85-5
MF:C27H37FO5
MW:460.578092336655
CID:234426
PubChem ID:21116143
Update Time:2025-04-19

9-Fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-valerate Chemical and Physical Properties

Names and Identifiers

    • 9-Fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-valerate
    • [(8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyl-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate
    • 9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl pentanoate
    • Einecs 239-436-3
    • 9-Fluoro-11β-hydroxy-16β-methyl-17-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione
    • NS00052796
    • SCHEMBL11755118
    • 15423-85-5
    • DTXSID10165573
    • Inchi： 1S/C27H37FO5/c1-6-7-8-23(32)33-27(17(3)29)16(2)13-21-20-10-9-18-14-19(30)11-12-24(18,4)26(20,28)22(31)15-25(21,27)5/h11-12,14,16,20-22,31H,6-10,13,15H2,1-5H3/t16-,20-,21-,22-,24-,25-,26-,27-/m0/s1
    • InChI Key： TYNWNTXJZVLQLQ-VADKKIFPSA-N
    • SMILES： F[C@@]12[C@]3(C=CC(C=C3CC[C@H]1[C@@H]1C[C@H](C)[C@](C(C)=O)([C@@]1(C)C[C@@H]2O)OC(CCCC)=O)=O)C

Computed Properties

  • Exact Mass: 460.26261
  • Monoisotopic Mass: 460.26250244g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 6
  • Complexity: 939
  • 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
  • Topological Polar Surface Area: 80.7?2

Experimental Properties

  • PSA: 80.67

9-Fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-valerate Related Literature

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