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  • Estradiol-btbdse ,Estradiol bis(tert-butyldimethylsilyl)ether ,57711-4
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    Estradiol-btbdse
    Estradiol bis(tert-butyldimethylsilyl)ether
    57711-41-8
    Silane, (((17beta)-estra-1,3,5(10)-triene-3,17-diyl)bis(oxy))bis((1,1-dimethylethyl)dimethyl-

    [Structure]
    Estradiol-btbdse ,Estradiol bis(tert-butyldimethylsilyl)ether ,57711-4

    [ Properties Computed from Structure]
    Molecular Weight500.90368 [g/mol]
    Molecular FormulaC30H52O2Si2
    H-Bond Donor0
    H-Bond Acceptor2
    Rotatable Bond Count6
    Exact Mass500.350584
    MonoIsotopic Mass500.350584
    Topological Polar Surface Area18.5
    Heavy Atom Count34
    Formal Charge0
    Complexity733
    Isotope Atom Count0
    Defined Atom StereoCenter Count5
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: tert-butyl-[[(8R,9S,13S,14S,
    17S)-3-(tert-butyl-dimethylsilyl)oxy-13-methyl-6,7,8,9,11,12,14,15,16,
    17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-dimethylsilane
    Canonical SMILES: CC12CCC3C(C1CCC2O[Si](C)(C)C(C)(C)C)CCC4=C3C=CC(=C4)O[Si](C)(C)C(C)(C)C
    Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C)(C)C(C)(C)C)CCC4=C3C=CC(=
    C4)O[Si](C)(C)C(C)(C)C
    InChI: InChI=1/C30H52O2Si2/c1-28(2,3)33(8,
    9)31-22-13-15-23-21(20-22)12-14-25-24(23)18-19-30(7)26(25)16-17-27(30)
    32-34(10,11)29(4,5)6/h13,15,20,24-27H,12,14,16-19H2,1-11H3/t24-,25-,26+,
    27+,30+/m1/s1

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