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

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    Bilobalide

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    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: 33570-04-6, Bilobalid, (-)-bilobalide, Bilobalide a, Chebi:3103, M81d2o8h7u
    Molecular Formula
    C15H18O8
    Molecular Weight
    326.30  g/mol
    InChI Key
    MOLPUWBMSBJXER-YDGSQGCISA-N
    FDA UNII
    M81D2O8H7U
    bilobalide is a natural product found in Ginkgo biloba with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trione
    2.1.2 InChI
    InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15+/m0/s1
    2.1.3 InChI Key
    MOLPUWBMSBJXER-YDGSQGCISA-N
    2.1.4 Canonical SMILES
    CC(C)(C)C1(CC2C3(C14C(C(=O)OC4OC3=O)O)CC(=O)O2)O
    2.1.5 Isomeric SMILES
    CC(C)(C)[C@@]1(C[C@H]2[C@@]3([C@]14[C@H](C(=O)O[C@H]4OC3=O)O)CC(=O)O2)O
    2.2 Other Identifiers
    2.2.1 UNII
    M81D2O8H7U
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (-)-bilobalide

    2.3.2 Depositor-Supplied Synonyms

    1. 33570-04-6

    2. Bilobalid

    3. (-)-bilobalide

    4. Bilobalide A

    5. Chebi:3103

    6. M81d2o8h7u

    7. (3as,8r,8as,9r,10as)-9-tert-butyl-8,9-dihydroxydihydro-9h-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3h,8h)-trione

    8. 4h,5ah,9h-furo(2,3-b)furo(3',2':2,3)cyclopenta(1,2-c)furan-2,4,7(3h,8h)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, (3as,5ar,8r,8as,9r,10as)-

    9. 4h,5ah,9h-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3h,8h)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, (3as,5ar,8r,8as,9r,10as)-

    10. Tert-butyl(dihydroxy)[?]trione

    11. Unii-m81d2o8h7u

    12. (?)-bilobalide

    13. Bilobalide [mi]

    14. Bilobalide [who-dd]

    15. Mls000563448

    16. Schembl285824

    17. Gtpl2366

    18. Chembl1318117

    19. Dtxsid10873207

    20. Hms2205o12

    21. Bcp28255

    22. Ex-a6793

    23. Hy-n0076

    24. Zinc8679998

    25. Mfcd00238547

    26. Akos024282583

    27. Ccg-208160

    28. Cs-1517

    29. Ncgc00142501-01

    30. Ncgc00142501-02

    31. 4h,5ah,9h-furo(2,3-b)furo(3',2':2,3)cyclopenta(1,2-c)furan-2,4,7(3h,8h)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, (5ar-(3as*,5aalpha,8beta,8as*,9alpha,10aalpha))-

    32. As-17551

    33. Smr000232342

    34. N1894

    35. Bilobalide (constituent Of Ginkgo) [dsc]

    36. 570b046

    37. Q418459

    38. Sr-01000712074

    39. Q-100409

    40. Sr-01000712074-4

    41. (-)-bilobalide From Ginkgo Biloba Leaves, >=93% (hplc)

    42. (1s,4r,7r,8s,9r,11s)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.0^{1,11}.0^{4,8}]tetradecane-2,6,13-trione

    43. (1s,4r,7r,8s,9r,11s)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trione

    44. 4h,5ah,9h-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3h,8h)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-,(3as,5ar,8r,8as,9r,10as)-

    2.4 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 326.30 g/mol
    Molecular Formula C15H18O8
    XLogP3-0.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count1
    Exact Mass326.10016753 g/mol
    Monoisotopic Mass326.10016753 g/mol
    Topological Polar Surface Area119 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity650
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1