Cas no 151265-33-7 ((9b,11b,16a)-9,11-Epoxy-21-hydroxy-16-methylpregna-1,4-diene-3,20-dione)

(9b,11b,16a)-9,11-Epoxy-21-hydroxy-16-methylpregna-1,4-diene-3,20-dione structure
151265-33-7 structure
Product Name:(9b,11b,16a)-9,11-Epoxy-21-hydroxy-16-methylpregna-1,4-diene-3,20-dione
CAS No:151265-33-7
MF:C22H28O4
MW:356.455327033997
CID:65243
PubChem ID:87621744
Update Time:2025-04-18

(9b,11b,16a)-9,11-Epoxy-21-hydroxy-16-methylpregna-1,4-diene-3,20-dione Chemical and Physical Properties

Names and Identifiers

    • (9b,11b,16a)-9,11-Epoxy-21-hydroxy-16-methylpregna-1,4-diene-3,20-dione
    • (9B,11B,16A)-9,11-EPOXY-21-HYDROXY-16-METHYL-PREGNA-1,4-DIENE-3,20-DIONE
    • (9β,11β,16α)-9,11-Epoxy-21-hydroxy-16-Methyl-pregna-1,4-diene-3,20-dione
    • A,11
    • A,16
    • 9,11-Epoxy-9H-cyclopenta[a]phenanthrene,pregna-1,4-diene-3,20-dione deriv.
    • Desoximetasone 17-desoxi-oxido Impurity
    • (9beta,11beta,16alpha)-9,11-Epoxy-21-hydroxy-16-methyl-pregna-1,4-diene-3,20-dione
    • PAQNKVLQHJ
    • 9,11-Epoxy-21-hydroxy-16-methylpregna-1,4-diene-3,20-dione, (9beta,11beta,16alpha)-
    • SCHEMBL4105973
    • (9.BETA.,11.BETA.,16.ALPHA.)-9,11-EPOXY-21-HYDROXY-16-METHYLPREGNA-1,4-DIENE-3,20-DIONE
    • 9b,11b-Epoxy-21-hydroxy-16a-methylpregna-1,4-diene-3,20-dione
    • (9,11,16)-9,11-Epoxy-21-hydroxy-16-methyl-pregna-1,4-diene-3,20-dione
    • 9,11-EPOXY-21-HYDROXY-16-METHYLPREGNA-1,4-DIENE-3,20-DIONE, (9.BETA.,11.BETA.,16.ALPHA.)-
    • A928032
    • 151265-33-7
    • UNII-PAQNKVLQHJ
    • PREGNA-1,4-DIENE-3,20-DIONE, 9,11-EPOXY-21-HYDROXY-16-METHYL-, (9.BETA.,11.BETA.,16.ALPHA.)-
    • (1S,2S,10S,11S,13R,14S,15S,17S)-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
    • E80482
    • Inchi： 1S/C22H28O4/c1-12-8-16-15-5-4-13-9-14(24)6-7-21(13,3)22(15)18(26-22)10-20(16,2)19(12)17(25)11-23/h6-7,9,12,15-16,18-19,23H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22-/m1/s1
    • InChI Key： YSIAYLSGHHVHFY-SQQNWLPGSA-N
    • SMILES： O1[C@H]2C[C@]3(C)[C@@H](C(CO)=O)[C@H](C)C[C@H]3[C@@H]3CCC4=CC(C=C[C@]4(C)[C@@]132)=O

Computed Properties

  • Exact Mass: 356.19900
  • Monoisotopic Mass: 356.19875937g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 2
  • Complexity: 766
  • 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: 2.4
  • Topological Polar Surface Area: 66.9?2

Experimental Properties

  • Density: 1.25
  • Melting Point: 176-178 oC
  • PSA: 66.90000
  • LogP: 2.84920

(9b,11b,16a)-9,11-Epoxy-21-hydroxy-16-methylpregna-1,4-diene-3,20-dione Related Literature

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