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    9(10)-Dehydronandrolone

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 9,10-dehydro-19-nortestosterone, Zx4vv1akuf, Chembl2311179, Ru-3118, 17-hydroxy-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one, (8s,13s,14s,17s)-17-hydroxy-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
    Molecular Formula
    C18H24O2
    Molecular Weight
    272.4  g/mol
    InChI Key
    PUQSDJZESAQGQS-OWSLCNJRSA-N
    FDA UNII
    ZX4VV1AKUF
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (8S,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
    2.1.2 InChI
    InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-17,20H,2-9H2,1H3/t15-,16+,17+,18+/m1/s1
    2.1.3 InChI Key
    PUQSDJZESAQGQS-OWSLCNJRSA-N
    2.1.4 Canonical SMILES
    CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2O
    2.1.5 Isomeric SMILES
    C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O
    2.2 Other Identifiers
    2.2.1 UNII
    ZX4VV1AKUF
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 9,10-dehydro-19-nortestosterone

    2. Zx4vv1akuf

    3. Chembl2311179

    4. Ru-3118

    5. 17-hydroxy-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one

    6. (8s,13s,14s,17s)-17-hydroxy-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one

    7. (10s,11s,14s)-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one

    8. Nordienolone

    9. Unii-zx4vv1akuf

    10. Schembl3867182

    11. Dtxsid80471835

    12. 3-oxo-4,9-estradien-17beta-ol

    13. 4,9-estradien-17beta-ol-3-one

    14. Zinc4026402

    15. Bdbm50422635

    16. Estra-4,9-diene-17beta-ol-3-one

    17. 17-

    18. A-hydroxyestra-4,9-dien-3-one

    19. 17 Beta-hydroxy-4,9-estradien-3-one

    20. (17beta)-17-hydroxyestra-4,9-dien-3-one

    21. 17beta-hydroxy-estra-4,9(10)-dien-3-one

    22. 3-oxo-4,9-estradien-17.beta.-ol

    23. 4,9-estradien-17.beta.-ol-3-one

    24. Cs-0212818

    25. D4162

    26. Ec 612-953-5

    27. Estra-4,9-diene-17.beta.-ol-3-one

    28. 17.beta.-hydroxyestra-4,9-dien-3-one

    29. Estra-4,9-dien-3-one, 17-hydroxy-, (17beta)-

    30. Q27295932

    31. (17.beta.)-17-hydroxyestra-4,9-dien-3-one

    32. Estra-4,9-dien-3-one, 17-hydroxy-, (17.beta.)-

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 272.4 g/mol
    Molecular Formula C18H24O2
    XLogP31.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass272.177630004 g/mol
    Monoisotopic Mass272.177630004 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity528
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1