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    Sclareolide

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: Sclareolide, 564-20-5, 12-norambreinolide, 37w4o0o6e6, Fema no. 3794, Refchem:884697
    Molecular Formula
    C16H26O2
    Molecular Weight
    250.38  g/mol
    InChI Key
    IMKJGXCIJJXALX-SHUKQUCYSA-N
    FDA UNII
    37W4O0O6E6
    has antineoplastic activity; synthesized by oxidation of sclareol; a minor constituent of Arnica angustifolia and Sideritis nutans; structure in first source
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
    2.1.2 InChI
    InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3/t11-,12+,15-,16+/m0/s1
    2.1.3 InChI Key
    IMKJGXCIJJXALX-SHUKQUCYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    37W4O0O6E6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Sclareolide

    2.3.2 Depositor-Supplied Synonyms

    1. Sclareolide

    2. 564-20-5

    3. 12-norambreinolide

    4. 37w4o0o6e6

    5. Fema No. 3794

    6. Refchem:884697

    7. 209-269-0

    8. (3ar)-(+)-sclareolide

    9. Norambreinolide

    10. Clareolide

    11. Mfcd00134168

    12. (3ar,5as,9as,9br)-3a,6,6,9a-tetramethyldecahydronaphtho[2,1-b]furan-2(1h)-one

    13. (3ar,5as,9as,9br)-decahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan-2(1h)-one

    14. (3ar,5as,9as,9br)-3a,6,6,9a-tetramethyldecahydronaphtho[2,1-b]furan-2(3ah)-one

    15. Mls001173371

    16. (3ar,5as,9as,9br)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one

    17. Dtxsid8047686

    18. Smr000538921

    19. Decahydrotetramethylnaphthofuranone

    20. (3ar,5as,9as,9br)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e]benzofuran-2-one

    21. Norambreinolide, (+)-

    22. Unii-37w4o0o6e6

    23. (3ar)-(+)-sclareolide; (+)-12-norambreinolide; Decahydrotetramethylnaphthofuranone

    24. Naphtho(2,1-b)furan-2(1h)-one, Decahydro-3a,6,6,9a-tetramethyl-, (3ar,5as,9as,9br)-

    25. Einecs 209-269-0

    26. Clary Sage Lactone

    27. Sclareolide [fhfi]

    28. (3a,r)-(+)-sclareolide

    29. Schembl83395

    30. Sclareolide (norambreinolide)

    31. Chembl304461

    32. Cid_929262

    33. Orb1304866

    34. Dtxcid6027686

    35. Bdbm75178

    36. Chebi:156168

    37. Hms2860m07

    38. (3ar)-(+)-sclareolide, 97%

    39. Hy-n0129

    40. Tox21_302544

    41. S2355

    42. Akos015901397

    43. Ccg-208493

    44. Ds-7369

    45. Ebc-616383

    46. Fs34059

    47. (3ar,5as,9as,9br)-3a,6,6,9a-tetramethyl-dodecahydronaphtho[2,1-b]furan-2-one

    48. Ncgc00163620-01

    49. Ncgc00163620-03

    50. Ncgc00256856-01

    51. 3a,4,5,5aalpha,6,7,8,9,9a,9balpha-decahydro-3abeta,6,6,9abeta-tetramethylnaphtho(2,1-b)furan-2(1h)-one

    52. Cas-564-20-5

    53. Naphtho(2,1-b)furan-2(1h)-one, 3a,4,5,5aalpha,6,7,8,9,9a,9balpha-decahydro-3abeta,6,6,9abeta-tetramethyl-

    54. Naphtho(2,1-b)furan-2(1h)-one, Decahydro-3a,6,6,9a-tetramethyl-, (3ar-(3aalpha,5abeta,9aalpha,9bbeta))-

    55. Sy026596

    56. (3ar)-(+)-sclareolide, Analytical Standard

    57. Cs-0007855

    58. S0847

    59. (3ar)-(+)-sclareolide, Natural, 97%, Fg

    60. H10516

    61. F462721

    62. Sr-01000812893

    63. Sr-01000812893-3

    64. Brd-k72925150-001-10-3

    65. Brd-k72925150-001-11-1

    66. (3ar,5as,9as,9br)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzouran-2-one

    67. (3ar-(3aalpha,5abeta,9aalpha,9bbeta))decahydro-3a,6,6,9a-tetramethylnaphth(2,1-b)furan-2(1h)-one

    2.4 Create Date
    2005-07-09
    3 Chemical and Physical Properties
    Molecular Weight 250.38 g/mol
    Molecular Formula C16H26O2
    XLogP34.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area26.3
    Heavy Atom Count18
    Formal Charge0
    Complexity387
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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