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    Also known as: (6r)-6-[(1r,3as,7ar)-4-[(2z)-2-[(3s,5r)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylheptan-2-ol
    Molecular Formula
    C39H74O3Si2
    Molecular Weight
    647.2  g/mol
    InChI Key
    IEBYGWUFYYXFGX-MZQWEKHDSA-N
    CAS 140710-98-1
    1 2D Structure

    CAS 140710-98-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6R)-6-[(1R,3aS,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylheptan-2-ol
    2.1.2 InChI
    InChI=1S/C39H74O3Si2/c1-28(18-16-24-38(9,10)40)33-22-23-34-30(19-17-25-39(33,34)11)20-21-31-26-32(41-43(12,13)36(3,4)5)27-35(29(31)2)42-44(14,15)37(6,7)8/h21,28,30,32-35,40H,2,16-20,22-27H2,1,3-15H3/b31-21-/t28-,30?,32-,33-,34+,35+,39-/m1/s1
    2.1.3 InChI Key
    IEBYGWUFYYXFGX-MZQWEKHDSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. (6r)-6-[(1r,3as,7ar)-4-[(2z)-2-[(3s,5r)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylheptan-2-ol

    2.3 Create Date
    2014-03-07
    3 Chemical and Physical Properties
    Molecular Weight 647.2 g/mol
    Molecular Formula C39H74O3Si2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count13
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area38.7
    Heavy Atom Count44
    Formal Charge0
    Complexity1010
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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