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  • [Synonyms]
    NSC12206
    11beta-Hydroxytestosterone 17-propionate
    C15314
    Testosterone, 11.beta.-hydroxy-, 17-propionate
    TESTOSTERONE, 11-BETA-HYDROXY-, 17-PROPIONATE
    11beta,17beta-Dihydroxyandrost-4-en-3-one 17-propionate
    Androst-4-en-3-one, 11.beta.,17.beta.-dihydroxy-, 17-propionate
    35271-42-2

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight360.48708 [g/mol]
    Molecular FormulaC22H32O4
    XLogP2.7
    H-Bond Donor1
    H-Bond Acceptor4
    Rotatable Bond Count3
    Tautomer Count5
    Exact Mass360.23006
    MonoIsotopic Mass360.23006
    Topological Polar Surface Area63.6
    Heavy Atom Count26
    Formal Charge0
    Complexity653
    Isotope Atom Count0
    Defined Atom StereoCenter Count7
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: [(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,
    9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]
    propanoate
    Canonical SMILES: CCC(=O)OC1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C
    Isomeric SMILES: CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)
    O)C
    InChI: InChI=1/C22H32O4/c1-4-19(25)26-18-8-7-16-15-6-5-13-11-14(23)9-10-21(13,
    2)20(15)17(24)12-22(16,18)3/h11,15-18,20,24H,4-10,12H2,1-3H3/t15-,16-,
    17-,18-,20+,21-,22-/m0/s1



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