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  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight705.10548 [g/mol]
    Molecular FormulaC50H72O2
    XLogP11
    H-Bond Donor2
    H-Bond Acceptor2
    Rotatable Bond Count16
    Exact Mass704.553232
    MonoIsotopic Mass704.553232
    Topological Polar Surface Area40.5
    Heavy Atom Count52
    Formal Charge0
    Complexity1460
    Isotope Atom Count0
    Defined Atom StereoCenter Count4
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count11
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 4-[(1R,5R)-5-[18-[(1R,5R)-5-(4-hydroxy-3-methylbut-2-enyl)-2,6,
    6-trimethyl-1-cyclohex-2-enyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,
    11,13,15,17-nonaenyl]-4,6,
    6-trimethyl-1-cyclohex-3-enyl]-2-methylbut-2-en-1-ol
    Canonical SMILES: CC1=CCC(C(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCC(C2(C)C)CC=C(C)
    CO)C)C)C)(C)C)CC=C(C)CO
    Isomeric SMILES: CC1=CC[C@@H](C([C@@H]1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=C[C@@H]2C(=CC[C@
    @H](C2(C)C)CC=C(C)CO)C)C)C)(C)C)CC=C(C)CO
    InChI: InChI=1/C50H72O2/c1-37(19-15-21-39(3)25-33-47-43(7)27-31-45(49(47,
    9)10)29-23-41(5)35-51)17-13-14-18-38(2)20-16-22-40(4)26-34-48-44(8)28-
    32-46(50(48,11)12)30-24-42(6)36-52/h13-28,33-34,45-48,51-52H,29-32,
    35-36H2,1-12H3/t45-,46-,47+,48+/m0/s1



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