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    Ginkgolide B

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 15291-77-7, Ginkolide b, Gingko lactone, Bn 52021, Sr-01000597598, Bn52021
    Molecular Formula
    C20H24O10
    Molecular Weight
    424.4  g/mol
    InChI Key
    SQOJOAFXDQDRGF-UHFFFAOYSA-N
    8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0,.0,.0,.0,]nonadecane-5,15,18-trione is a natural product found in Ginkgo and Ginkgo biloba with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
    2.1.2 InChI
    InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3
    2.1.3 InChI Key
    SQOJOAFXDQDRGF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Bn 52021

    2. Bn-52021

    3. Ginkgolide B, (1beta)-isomer

    4. Ginkolide B

    2.2.2 Depositor-Supplied Synonyms

    1. 15291-77-7

    2. Ginkolide B

    3. Gingko Lactone

    4. Bn 52021

    5. Sr-01000597598

    6. Bn52021

    7. Ginklide B

    8. Gink;lide B

    9. 7-deoxyginkgolide C

    10. Chembl266625

    11. Schembl14279903

    12. 1-hydroxy-(1beta)-ginkgolide A

    13. Bcp25992

    14. Mfcd05662347

    15. Nsc110257

    16. Pdsp1_000734

    17. Pdsp2_000724

    18. Akos015895882

    19. Nsc-110257

    20. Tert-butyl-trihydroxy-methyl-[?]trione

    21. Ncgc00025245-01

    22. As-56165

    23. Db-043166

    24. L000993

    25. Sr-01000597598-1

    26. Sr-01000597598-3

    27. 8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

    28. 99796-69-7

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 424.4 g/mol
    Molecular Formula C20H24O10
    XLogP3-0.4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count1
    Exact Mass424.13694696 g/mol
    Monoisotopic Mass424.13694696 g/mol
    Topological Polar Surface Area149 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity925
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count11
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Fibrinolytic Agents

    Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN. (See all compounds classified as Fibrinolytic Agents.)