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    Chemical structure of IR820-PTX , CAS 2250419-19-1, AChemBlock AD265625

    IR820-PTX

    Catalog ID: AD265625

    Product Name: IR820-PTX
    CAS: 2250419-19-1
    Purity: 98%
    FW: 1781.1
    Formula: C₉₉H₁₁₂N₄NaO₂₁S₂
    Smiles: CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)OC(C)=O)=C([C@H](C4)OC([C@H](OC(CCCCCNC5=C(C=CC6=[N+](C7=C(C8=CC=CC=C8C=C7)C6(C)C)CCCCS(=O)([O-])=O)CCCC5=CC=C9N(C%10=C(C%11=CC=CC=C%11C=C%10)C9(C)C)CCCCS(=O)(O)=O)=O)[C@H](C%12=CC=CC=C%12)NC(C%13=CC=CC=C%13)=O)=O)C)C)O)OC(C%14=CC=CC=C%14)=O)=O.[Na]
    IR820-PTX 98%, CAS#: 2250419-19-1, Cat ID: AD265625, REFERENCE COMPOUNDS, AChemBlock
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    Purity 98%
    Appearances
    Storage Store at 0-8 °C
    Shipping normal
    MSDS Download MSDS
    IUPAC Name 4-(2-(2-(2-((6-(((1S,2R)-1-benzamido-3-(((2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-diacetoxy-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-9-yl)oxy)-3-oxo-1-phenylpropan-2-yl)oxy)-6-oxohexyl)amino)-3-(2-(1,1-dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethyl
    HTS Code
    Smiles CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)OC(C)=O)=C([C@H](C4)OC([C@H](OC(CCCCCNC5=C(C=CC6=[N+](C7=C(C8=CC=CC=C8C=C7)C6(C)C)CCCCS(=O)([O-])=O)CCCC5=CC=C9N(C%10=C(C%11=CC=CC=C%11C=C%10)C9(C)C)CCCCS(=O)(O)=O)=O)[C@H](C%12=CC=CC=C%12)NC(C%13=CC=CC=C%13)=O)=O)C)C)O)OC(C%14=CC=CC=C%14)=O)=O.[Na]
    InChiKey OAZXGLINJDPRQE-GQBIEJAESA-N
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