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

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    Hypericin

    DEVELOPMENTS

    ANALYTICAL SOLUTION(s)

    DIGITAL CONTENT

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    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as:
    Molecular Formula
    C30H16O8
    Molecular Weight
    504.4  g/mol
    InChI Key
    BTXNYTINYBABQR-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5,7,11,18,22,24-hexahydroxy-13,16-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione
    2.1.2 InChI
    InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3
    2.1.3 InChI Key
    BTXNYTINYBABQR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C2C3=C4C5=C(C(=CC(=C5C2=O)O)O)C6=C7C4=C8C(=C13)C(=CC(=C8C(=O)C7=C(C=C6O)O)O)C)O
    2.1.5 Isomeric SMILES
    CC1=CC(=C2C3=C4C5=C(C(=CC(=C5C2=O)O)O)C6=C7C4=C8C(=C13)C(=CC(=C8C(=O)C7=C(C=C6O)O)O)C)O
    2.2 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 504.4 g/mol
    Molecular Formula C30H16O8
    XLogP36.9
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count0
    Exact Mass504.08451746 g/mol
    Monoisotopic Mass504.08451746 g/mol
    Topological Polar Surface Area156 A^2
    Heavy Atom Count38
    Formal Charge0
    Complexity981
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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