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    BUILDING BLOCK

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    Chemistry

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    Also known as: [2-[(8s,9r,10s,13s,14s,17s)-6,9-difluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate, 4306-83-6, Dtxsid60722014
    Molecular Formula
    C23H28F2O7
    Molecular Weight
    454.5  g/mol
    InChI Key
    UFBXNEAKEMBKBR-NEUXUNGYSA-N
    CAS No 4306-83-6
    1 2D Structure

    CAS No 4306-83-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-[(8S,9R,10S,13S,14S,17S)-6,9-difluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
    2.1.2 InChI
    InChI=1S/C23H28F2O7/c1-11(26)32-10-19(30)23(31)17(28)8-13-14-7-16(24)15-6-12(27)4-5-20(15,2)22(14,25)18(29)9-21(13,23)3/h4-6,13-14,16-18,28-29,31H,7-10H2,1-3H3/t13-,14-,16?,17?,18?,20-,21-,22-,23-/m0/s1
    2.1.3 InChI Key
    UFBXNEAKEMBKBR-NEUXUNGYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. [2-[(8s,9r,10s,13s,14s,17s)-6,9-difluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] Acetate

    2. 4306-83-6

    3. Dtxsid60722014

    2.3 Create Date
    2012-07-12
    3 Chemical and Physical Properties
    Molecular Weight 454.5 g/mol
    Molecular Formula C23H28F2O7
    XLogP31.1
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area121
    Heavy Atom Count32
    Formal Charge0
    Complexity947
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count3
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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