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    17-Iodoandrosta-5,16-Dien-3Beta-Ol

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 547Xls

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    2D Structure
    Also known as: 32138-69-5, 17-iodoandrosta-5,16-dien-3beta-ol, (3beta)-17-iodoandrosta-5,16-dien-3-ol, (3s,8r,9s,10r,13s,14s)-17-iodo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-3-ol, (3s,8r,9s,10r,13s,14s)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-17-iodo-10,13-dimethyl-1h-cyclopenta[a]phenanthren-3-ol, Schembl939291
    Molecular Formula
    C19H27IO
    Molecular Weight
    398.3  g/mol
    InChI Key
    DHZJEYGWSNDRGN-USOAJAOKSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S,8R,9S,10R,13S,14S)-17-iodo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
    2.1.2 InChI
    InChI=1S/C19H27IO/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,6,13-16,21H,4-5,7-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
    2.1.3 InChI Key
    DHZJEYGWSNDRGN-USOAJAOKSA-N
    2.1.4 Canonical SMILES
    CC12CCC(CC1=CCC3C2CCC4(C3CC=C4I)C)O
    2.1.5 Isomeric SMILES
    C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4I)C)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 32138-69-5

    2. 17-iodoandrosta-5,16-dien-3beta-ol

    3. (3beta)-17-iodoandrosta-5,16-dien-3-ol

    4. (3s,8r,9s,10r,13s,14s)-17-iodo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-3-ol

    5. (3s,8r,9s,10r,13s,14s)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-17-iodo-10,13-dimethyl-1h-cyclopenta[a]phenanthren-3-ol

    6. Schembl939291

    7. Amy6997

    8. Dtxsid40454083

    9. Bcp12288

    10. Cs-m1865

    11. Mfcd00199204

    12. Zinc82048847

    13. Akos016004244

    14. 17-iodoandrosta-5,16-diene-3beta-ol

    15. 17-iodo-androsta-5,16-dien-3beta-ol

    16. Ac-25765

    17. Cs-13060

    18. 3beta-hydroxy-17-iodo Androsta-5,16-diene

    19. P16973

    20. A875694

    21. (3s,10r,13s)-17-iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 398.3 g/mol
    Molecular Formula C19H27IO
    XLogP34.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass398.11066 g/mol
    Monoisotopic Mass398.11066 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity522
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1