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  • [Synonyms]
    EINECS 268-023-0
    (1R-(1alpha,4abeta,10aalpha))-(1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthryl)methyl methacrylate
    2-Propenoic acid, 2-methyl-, ((1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)methyl ester
    67989-99-5

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight354.52556 [g/mol]
    Molecular FormulaC24H34O2
    XLogP7.2
    H-Bond Donor0
    H-Bond Acceptor2
    Rotatable Bond Count5
    Exact Mass354.25588
    MonoIsotopic Mass354.25588
    Topological Polar Surface Area26.3
    Heavy Atom Count26
    Formal Charge0
    Complexity550
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count3
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: (1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,
    10a-hexahydrophenanthren-1-yl)methyl 2-methylprop-2-enoate
    Canonical SMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)COC(=O)C(=C)C)C
    InChI: InChI=1/C24H34O2/c1-16(2)18-8-10-20-19(14-18)9-11-21-23(5,12-7-13-24(20,
    21)6)15-26-22(25)17(3)4/h8,10,14,16,21H,3,7,9,11-13,15H2,1-2,4-6H3



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