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  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight842.02154 [g/mol]
    Molecular FormulaC43H71NO15
    XLogP3.2
    H-Bond Donor3
    H-Bond Acceptor16
    Rotatable Bond Count15
    Tautomer Count2
    Exact Mass841.482371
    MonoIsotopic Mass841.482371
    Topological Polar Surface Area206
    Heavy Atom Count59
    Formal Charge0
    Complexity1410
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count2
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: [6-[4-dimethylamino-5-hydroxy-6-[[10-hydroxy-5-methoxy-9,
    16-dimethyl-2-oxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,
    13-dien-6-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl]
    3-methylbutanoate
    Canonical SMILES: CCC(=O)OC1CC(=O)OC(CC=CC=CC(C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)
    OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O)C
    InChI: InChI=1/C43H71NO15/c1-12-32(47)56-31-22-34(49)53-26(5)16-14-13-15-17-30
    (46)25(4)21-29(18-19-45)39(40(31)52-11)59-42-37(50)36(44(9)10)38(27(6)
    55-42)58-35-23-43(8,51)41(28(7)54-35)57-33(48)20-24(2)3/h13-15,17,19,
    24-31,35-42,46,50-51H,12,16,18,20-23H2,1-11H3



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