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    Methyl Linolenate

    ACTIVE PHARMA INGREDIENTS

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 232,460Xls

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    2D Structure
    Also known as: 301-00-8, Linolenic acid methyl ester, Linolenic acid, methyl ester, Methyl alpha-linolenate, Methyl (9z,12z,15z)-octadeca-9,12,15-trienoate, Methyl all-cis-9,12,15-octadecatrienoate
    Molecular Formula
    C19H32O2
    Molecular Weight
    292.5  g/mol
    InChI Key
    DVWSXZIHSUZZKJ-YSTUJMKBSA-N
    FDA UNII
    0S1NS923K6
    methyl linolenate is a natural product found in Hedysarum polybotrys, Azadirachta indica, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
    2.1.2 InChI
    InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-
    2.1.3 InChI Key
    DVWSXZIHSUZZKJ-YSTUJMKBSA-N
    2.1.4 Canonical SMILES
    CCC=CCC=CCC=CCCCCCCCC(=O)OC
    2.1.5 Isomeric SMILES
    CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    0S1NS923K6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 9,12,15-octadecatrienoic Acid, Methyl Ester

    2. Linolenic Acid Methyl Ester

    3. Methyl Linolenate, (z,z,z)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. 301-00-8

    2. Linolenic Acid Methyl Ester

    3. Linolenic Acid, Methyl Ester

    4. Methyl Alpha-linolenate

    5. Methyl (9z,12z,15z)-octadeca-9,12,15-trienoate

    6. Methyl All-cis-9,12,15-octadecatrienoate

    7. Alpha-linolenic Acid Methyl Ester

    8. 9,12,15-octadecatrienoic Acid, Methyl Ester, (z,z,z)-

    9. Methyl .alpha.-linolenate

    10. Linolenic Acid-methyl Ester

    11. Methyl Cis,cis,cis-octadec-9,12,15-trienoate

    12. 0s1ns923k6

    13. Methyl (9z,12z,15z)-9,12,15-octadecatrienoate

    14. Nsc-607759

    15. Linolenic Acid-methyl Ester 10 Microg/ml In Acetonitrile

    16. Cis,cis,cis-9,12,15-octadecatrienoic Acid, Methyl Ester

    17. Methyllinolenate

    18. Unii-0s1ns923k6

    19. Einecs 206-102-3

    20. Mfcd00135851

    21. Linolenic Acid Methyl

    22. Nsc 607759

    23. Methyl (z)-linolenate

    24. Ai3-26935

    25. Methyl Linolenate, .alpha.

    26. Dsstox_cid_21560

    27. Dsstox_gsid_41560

    28. Schembl55951

    29. Chembl1172198

    30. Dtxsid5041560

    31. Chebi:133634

    32. Methyl Linolenate [usp-rs]

    33. Methyl Linolenate, >=99% (gc)

    34. Tox21_303764

    35. Nsc607759

    36. Zinc12405245

    37. Methyl Linolenate, Analytical Standard

    38. Cs-5627

    39. Methyl (9z,12z,15z)-octadecatrienoate

    40. Ncgc00357264-01

    41. Ac-33780

    42. As-56871

    43. Cas-301-00-8

    44. Hy-21268

    45. .alpha.-linolenic Acid Methyl Ester

    46. Fema No. 3411, Methyl Linolenate-

    47. L0051

    48. S0324

    49. Methyl Linolenate, Technical, 70-80% (gc)

    50. 9z,12z,15z-octadecatrienoic Acid Methyl Ester

    51. D91234

    52. A912782

    53. 0fe5a6df-f28b-4f68-a34b-f46cbc4f91ad

    54. [z,z,z]-9,12,15-octadecadienoic Acid Methyl Ester

    55. Methyl (9z,12z,15z)-9,12,15-octadecatrienoate #

    56. Q27237155

    57. (z,z,z)-9,12,15-octadecatrienoic Acid, Methyl Ester

    58. Cis-9,cis-12,cis-15 Octadecadienoic Acid Methyl Ester

    59. Methyl Cis,cis,cis-octadeca-9,12,15-trienoate

    60. Octadecatrienoic Acid Methylester, 9,12,15-(z,z,z)-

    61. Cis,cis,cis-octadeca-9,12,15-trienoic Acid Methyl Ester

    62. (z,z,z)-9,12,15-octadecatrienoic Acid Methyl Ester

    63. Cis-9,cis-12,cis-15-octadecatrienoic Acidmethyl Ester

    64. Methyl Linolenate, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 292.5 g/mol
    Molecular Formula C19H32O2
    XLogP36.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count14
    Exact Mass292.240230259 g/mol
    Monoisotopic Mass292.240230259 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity314
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count3
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1