Cas no 52092-65-6 (Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9,11-epoxy-16-methyl-, (9b,11b,16a)- (9CI))

Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9,11-epoxy-16-methyl-, (9b,11b,16a)- (9CI) structure
52092-65-6 structure
Product Name:Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9,11-epoxy-16-methyl-, (9b,11b,16a)- (9CI)
CAS No:52092-65-6
MF:C24H30O5
MW:398.492007732391
CID:374964
PubChem ID:104076
Update Time:2025-04-19

Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9,11-epoxy-16-methyl-, (9b,11b,16a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9,11-epoxy-16-methyl-, (9b,11b,16a)- (9CI)
    • 11,21-Didehydro-(9β,11β)-epoxy-21-(acetyloxy) Desoxymetasone
    • 9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate
    • (9beta,11beta,16alpha)-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate
    • 52092-65-6
    • SCHEMBL11325098
    • DTXSID00966450
    • NS00059673
    • [2-oxo-2-[(1S,2S,10S,11S,13R,14S,15S,17S)-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]ethyl] acetate
    • EINECS 257-657-3
    • 16-Methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate
    • Inchi： 1S/C24H30O5/c1-13-9-18-17-6-5-15-10-16(26)7-8-23(15,4)24(17)20(29-24)11-22(18,3)21(13)19(27)12-28-14(2)25/h7-8,10,13,17-18,20-21H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,20+,21-,22+,23+,24-/m1/s1
    • InChI Key： JKRMOSPJNPCGSZ-QNAHPZDQSA-N
    • SMILES： O1[C@H]2C[C@]3(C)[C@@H](C(COC(C)=O)=O)[C@H](C)C[C@H]3[C@@H]3CCC4=CC(C=C[C@]4(C)[C@@]132)=O

Computed Properties

  • Exact Mass: 398.209
  • Monoisotopic Mass: 398.209
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 4
  • Complexity: 871
  • 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: 9
  • XLogP3: 3
  • Topological Polar Surface Area: 73?2

Experimental Properties

  • Density: 1.23
  • Boiling Point: 540.6°Cat760mmHg
  • Flash Point: 234.1°C
  • Refractive Index: 1.574

Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9,11-epoxy-16-methyl-, (9b,11b,16a)- (9CI) Related Literature

Related Categories

52092-65-6 (Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9,11-epoxy-16-methyl-, (9b,11b,16a)- (9CI)) Related Products

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