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    Technical details about CAS 14622-47-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 14622-47-0

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    2D Structure
    Also known as: 981-34-0, 16-beta methyl epoxide, (4as,4bs,5as,6as,7r,8s,9as,9bs)-7-hydroxy-7-(2-hydroxyacetyl)-4a,6a,8-trimethyl-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4ah)-one, M9ay9bsi41, 9beta,11beta-epoxy-17alpha,21-dihydroxy-16beta-methylene-pregna-1,4-diene-3,20-dione, 9beta,11beta-epoxy-17,21-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione
    Molecular Formula
    C22H28O5
    Molecular Weight
    372.5  g/mol
    InChI Key
    GBDXNHBVYAMODG-DEGNENOVSA-N
    FDA UNII
    M9AY9BSI41
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,2S,10S,11S,13S,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
    2.1.2 InChI
    InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,23,26H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,18-,19-,20-,21-,22+/m0/s1
    2.1.3 InChI Key
    GBDXNHBVYAMODG-DEGNENOVSA-N
    2.1.4 Canonical SMILES
    CC1CC2C3CCC4=CC(=O)C=CC4(C35C(O5)CC2(C1(C(=O)CO)O)C)C
    2.1.5 Isomeric SMILES
    C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)CO)O)C)C
    2.2 Other Identifiers
    2.2.1 UNII
    M9AY9BSI41
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 981-34-0

    2. 16-beta Methyl Epoxide

    3. (4as,4bs,5as,6as,7r,8s,9as,9bs)-7-hydroxy-7-(2-hydroxyacetyl)-4a,6a,8-trimethyl-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4ah)-one

    4. M9ay9bsi41

    5. 9beta,11beta-epoxy-17alpha,21-dihydroxy-16beta-methylene-pregna-1,4-diene-3,20-dione

    6. 9beta,11beta-epoxy-17,21-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione

    7. (9beta,11beta,16beta)-9,11-epoxy-17,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione

    8. (1s,2s,10s,11s,13s,14r,15s,17s)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one

    9. Einecs 213-563-4

    10. Unii-m9ay9bsi41

    11. 9,11?-epoxy-17,21-dihydroxy-16?-methyl-9?-pregna-1,4-diene-3,20-dione

    12. 16-beta-methyl Epoxide

    13. Schembl5262836

    14. 9

    15. A,11

    16. A-epoxy-17,21-dihydroxy-16

    17. A-methylpregna-1,4-diene-3,20-dione

    18. (11alpha,16alpha)-9,11-epoxy-17,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione

    19. Dtxsid601020538

    20. 14622-47-0

    21. Amy27801

    22. Zinc6066702

    23. Mfcd09038712

    24. Akos017343721

    25. Cs-w006439

    26. As-17685

    27. Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-16-methyl-, (9.beta.,11.beta.,16.beta.)-

    28. Betamethasone Impurity E [ep Impurity]

    29. C77355

    30. 981m340

    31. A855442

    32. W-100093

    33. Q27283711

    34. Beclomethasone Dipropionate Impurity R [ep Impurity]

    35. 9 Beta ,11 Beta -epoxy-17,21-dihydroxy-16 Beta -methylpregna-1,4-diene-3,20-dione

    36. 16alpha-methyl Epoxide(db-11); 17alpha,21-dihydroxy-9alpha,11alpha,epoxy-16alpha-methylpregn-1,4-diene-3,20-dione

    37. 9,11.beta.-epoxy-17,21-dihydroxy-16.beta.-methyl-9.beta.-pregna-1,4-diene-3,20-dione

    38. 9.beta.-pregna-1,4-diene-3,20-dione, 9,11.beta.-epoxy-17,21-dihydroxy-16.beta.-methyl-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 372.5 g/mol
    Molecular Formula C22H28O5
    XLogP32
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass372.19367399 g/mol
    Monoisotopic Mass372.19367399 g/mol
    Topological Polar Surface Area87.1 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity814
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1