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

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    Pseudohypericin

    REF. STANDARDS & IMPURITIES

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as:
    Molecular Formula
    C30H16O9
    Molecular Weight
    520.4  g/mol
    InChI Key
    YXBUQQDFTYOHQI-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-(hydroxymethyl)-16-methyloctacyclo[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/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3
    2.1.3 InChI Key
    YXBUQQDFTYOHQI-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)CO)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)CO)O
    2.2 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 520.4 g/mol
    Molecular Formula C30H16O9
    XLogP35.6
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count1
    Exact Mass520.07943208 g/mol
    Monoisotopic Mass520.07943208 g/mol
    Topological Polar Surface Area176 A^2
    Heavy Atom Count39
    Formal Charge0
    Complexity1080
    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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