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Polpharma European CDMO Partner & API Manufacturer since 1951 Polpharma European CDMO Partner & API Manufacturer since 1951

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    Technical details about Bilberry, learn more about the structure, uses, toxicity, action, side effects and more

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    Bilberry

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    DOSSIERs // Finished Dosage Forms

    REF. STANDARDS & IMPURITIES

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    2D Structure
    1. Also known as:
    Molecular Formula
    C56H64N2O12
    Molecular Weight
    957.1  g/mol
    InChI Key
    RKWZCURKZLRBRV-UBVQNZSKSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2S,3S,4S,6S)-6-[2-[(E)-but-2-en-2-yl]-8-[(2R,4R,5S,6R)-4-(dimethylamino)-6-methyl-5-phenylmethoxyoxan-2-yl]-11-hydroxy-7,12-dimethoxy-5-methyl-4-oxonaphtho[2,3-h]chromen-10-yl]-2,4-dimethyl-4-(phenylmethoxycarbonylamino)oxan-3-yl] acetate
    2.1.2 InChI
    InChI=1S/C56H64N2O12/c1-12-30(2)42-26-41(60)45-31(3)23-39-47(53(45)70-42)52(64-11)48-46(51(39)63-10)37(43-25-40(58(8)9)50(32(4)67-43)65-28-35-19-15-13-16-20-35)24-38(49(48)61)44-27-56(7,54(33(5)68-44)69-34(6)59)57-55(62)66-29-36-21-17-14-18-22-36/h12-24,26,32-33,40,43-44,50,54,61H,25,27-29H2,1-11H3,(H,57,62)/b30-12+/t32-,33+,40-,43-,44+,50-,54-,56+/m1/s1
    2.1.3 InChI Key
    RKWZCURKZLRBRV-UBVQNZSKSA-N
    2.1.4 Canonical SMILES
    CC=C(C)C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=C4C(=CC(=C(C4=C3OC)O)C5CC(C(C(O5)C)OC(=O)C)(C)NC(=O)OCC6=CC=CC=C6)C7CC(C(C(O7)C)OCC8=CC=CC=C8)N(C)C)OC
    2.1.5 Isomeric SMILES
    C/C=C(\C)/C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=C4C(=CC(=C(C4=C3OC)O)[C@@H]5C[C@]([C@@H]([C@@H](O5)C)OC(=O)C)(C)NC(=O)OCC6=CC=CC=C6)[C@H]7C[C@H]([C@@H]([C@H](O7)C)OCC8=CC=CC=C8)N(C)C)OC
    2.2 Create Date
    2011-02-14
    3 Chemical and Physical Properties
    Molecular Weight 957.1 g/mol
    Molecular Formula C56H64N2O12
    XLogP39.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count15
    Exact Mass956.44592548 g/mol
    Monoisotopic Mass956.44592548 g/mol
    Topological Polar Surface Area161 Ų
    Heavy Atom Count70
    Formal Charge0
    Complexity1860
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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