Cas no 38680-83-0 (9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate)

9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate structure
38680-83-0 structure
Product Name:9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate
CAS No:38680-83-0
MF:C23H28O6
MW:400.464827537537
CID:54903
PubChem ID:11876290
Update Time:2025-04-18

9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate Chemical and Physical Properties

Names and Identifiers

    • 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate
    • 21-acetoxy-9,11β-epoxy-17-hydroxy-9β-pregna-1,4-diene-3,20-dione
    • 9B,11B-EPOXY-17,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE,IN-HOUSE STANDARD
    • 9beta,11beta-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate
    • 9b-Pregna-1,4-diene-3,20-dione,9,11b-epoxy-17,21-dihydroxy-,21-acetate (6CI)
    • DBNHODAAFAHQNY-WWUWEVONSA-N
    • SCHEMBL5708123
    • EC 254-079-3
    • 85PMV8F52D
    • (9beta,11beta)-21-(Acetyloxy)-9,11-epoxy-17-hydroxypregna-1,4-diene-3,20-dione
    • 9beta-Pregna-1,4-diene-3,20-dione, 9,11beta-epoxy-17,21-dihydroxy-, 21-acetate
    • EINECS 254-079-3
    • 38680-83-0
    • 9beta,11beta-epoxy-21-acetoxy-17-hydroxypregna-1,4-diene-3,20-dione
    • 9beta,11beta-epoxy-21-acetoxy-17-hydroxy-pregna-1,4-diene-3,20-dione
    • DTXSID50191977
    • [2-[(1S,2S,10S,11S,14R,15S,17S)-14-hydroxy-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate
    • AKOS015901635
    • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-17-hydroxy-, (9beta,11beta)-
    • Inchi： 1S/C23H28O6/c1-13(24)28-12-18(26)22(27)9-7-16-17-5-4-14-10-15(25)6-8-20(14,2)23(17)19(29-23)11-21(16,22)3/h6,8,10,16-17,19,27H,4-5,7,9,11-12H2,1-3H3/t16-,17-,19-,20-,21-,22-,23+/m0/s1
    • InChI Key： DBNHODAAFAHQNY-WWUWEVONSA-N
    • SMILES： O1[C@H]2C[C@]3(C)[C@@](C(COC(C)=O)=O)(CC[C@H]3[C@@H]3CCC4=CC(C=C[C@]4(C)[C@@]132)=O)O

Computed Properties

  • Exact Mass: 400.18900
  • Monoisotopic Mass: 400.18858861g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 4
  • Complexity: 888
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 93.2?2

Experimental Properties

  • Density: 1.32
  • PSA: 93.20000
  • LogP: 2.28890

9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate Related Literature

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