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    Prasterone

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    2D Structure
    Also known as: 3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one, Spectrum_000661, Specplus_000094, Spectrum2_000359, Spectrum3_000116, Spectrum4_001395
    Molecular Formula
    C19H28O2
    Molecular Weight
    288.4  g/mol
    InChI Key
    FMGSKLZLMKYGDP-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
    2.1.2 InChI
    InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3
    2.1.3 InChI Key
    FMGSKLZLMKYGDP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

    2. Spectrum_000661

    3. Specplus_000094

    4. Spectrum2_000359

    5. Spectrum3_000116

    6. Spectrum4_001395

    7. Spectrum5_000130

    8. Kbiogr_001750

    9. Kbioss_001141

    10. Chembl31399

    11. Divk1c_006190

    12. Spbio_000457

    13. Schembl9969169

    14. Chebi:95212

    15. Kbio1_001134

    16. Kbio2_001141

    17. Kbio2_003709

    18. Kbio2_006277

    19. Kbio3_000872

    20. Dtxsid801331866

    21. Albb-023670

    22. Androst-5-en-17-one, 3-hydroxy-

    23. Ccg-38634

    24. Akos015998159

    25. Smp2_000186

    26. Ls-14740

    27. Q27167029

    2.3 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 288.4 g/mol
    Molecular Formula C19H28O2
    XLogP33.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass288.208930132 g/mol
    Monoisotopic Mass288.208930132 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity508
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count6
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1