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    Oleanolic Acid

    ACTIVE PHARMA INGREDIENTS

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 508-02-1, Oleanic acid, Caryophyllin, Astrantiagenin c, Giganteumgenin c, Virgaureagenin b
    Molecular Formula
    C30H48O3
    Molecular Weight
    456.7  g/mol
    InChI Key
    MIJYXULNPSFWEK-GTOFXWBISA-N
    FDA UNII
    6SMK8R7TGJ
    A pentacyclic triterpene that occurs widely in many PLANTS as the free acid or the aglycone for many SAPONINS. It is biosynthesized from lupane. It can rearrange to the isomer, ursolic acid, or be oxidized to taraxasterol and amyrin.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    2.1.2 InChI
    InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
    2.1.3 InChI Key
    MIJYXULNPSFWEK-GTOFXWBISA-N
    2.1.4 Canonical SMILES
    CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
    2.1.5 Isomeric SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O
    2.2 Other Identifiers
    2.2.1 UNII
    6SMK8R7TGJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Hederins

    2. Oleanane Triterpenes

    3. Oleanol

    4. Triterpenes, Oleanane

    2.3.2 Depositor-Supplied Synonyms

    1. 508-02-1

    2. Oleanic Acid

    3. Caryophyllin

    4. Astrantiagenin C

    5. Giganteumgenin C

    6. Virgaureagenin B

    7. 3beta-hydroxyolean-12-en-28-oic Acid

    8. Oleonolic Acid

    9. 3-beta-hydroxyolean-12-en-28-oic Acid

    10. (4as,6ar,6as,6br,8ar,10s,12ar,14bs)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic Acid

    11. Nsc-114945

    12. (3-beta)-3-hydroxyolean-12-en-28-oic Acid

    13. Nsc114945

    14. 6smk8r7tgj

    15. Olean-12-en-28-oic Acid, 3-hydroxy-, (3beta)-

    16. Chebi:37659

    17. Nsc 114945

    18. (4as,6as,6br,8ar,10s,12ar,12br,14bs)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2h)-carboxylic Acid

    19. Mfcd00064914

    20. (4as,5s,6as,6br,8r,8ar,10s,12ar,12br,14bs)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2h-picene-4a-carboxylic Acid

    21. 3-beta-hydroxy-olean-12-en-28-oicaci

    22. Smr000445561

    23. Ccris 6493

    24. Oleanolic_acid

    25. Chembl168

    26. (3.beta.)-3-hydroxyolean-12-en-28-oic Acid

    27. Einecs 208-081-6

    28. Unii-6smk8r7tgj

    29. Olean-12-en-28-oic Acid, 3-hydroxy-, (3.beta.)-

    30. Oleanolic-acid

    31. Gledigenin 1

    32. Oleanolsa Currencyure

    33. Oleanoic Acid Hydrate

    34. Olean-12-en-28-oic Acid, 3.beta.-hydroxy-

    35. Olean-12-en-28-oic Acid, 3beta-hydroxy-

    36. Olean-12-en-28-oic Acid, 3-beta-hydroxy-

    37. Oleanolic Acid, >=97%

    38. Oleanolic Acid [mi]

    39. Olean-12-en-28-oic Acid, 3-hydroxy-, (3b)-

    40. Schembl71070

    41. Mls000697656

    42. Mls002207133

    43. Oleanolic Acid [inci]

    44. Olean-12-en-28-oic Acid, 3-hydroxy-, (3-beta)-

    45. Gtpl3306

    46. Oleanolic Acid [usp-rs]

    47. Oleanolic Acid [who-dd]

    48. Dtxsid50858790

    49. Hms2232d15

    50. Oleanolic Acid (oa)(compound 1)

    51. Oleanolic Acid, Analytical Standard

    52. Ex-a1991

    53. Hy-n0156

    54. Zinc3785416

    55. Bdbm50346601

    56. 3-beta-hydroxyolean-12-en-28-oate

    57. 3beta-hydroxy-olean-12-en-28-oate

    58. Akos015951416

    59. Ac-8026

    60. Ccg-208530

    61. Cs-3800

    62. Lmpr0106150004

    63. 3.beta.-hydroxy-olean-12-en-28-oate

    64. 3beta-hydroxy-olean-12-en-28-oic Acid

    65. Ncgc00017222-10

    66. (2s,5s,10s,18s,1r,14r,15r,20r)-18-hydroxy-1,2,8,8,15,19,19-heptamethylpentacyc Lo[12.8.0.0<2,11>.0<5,10>.0<15,20>]docos-11-ene-5-carboxylic Acid

    67. As-35338

    68. Bp-25410

    69. (3-beta)-3-hydroxyolean-12-en-28-oate

    70. (3?)-3-hydroxyolean-12-en-28-oic Acid

    71. 3.beta.-hydroxy-olean-12-en-28-oic Acid

    72. N1826

    73. (3.beta.)-3-hydroxy-olean-12-en-28-oate

    74. C17148

    75. (3.beta.)-3-hydroxy-olean-12-en-28-oic Acid

    76. (3.beta.)-3-beta-hydroxy-olean-12-en-28-oate

    77. 3.beta.-hydroxyolean-12-en-28-oic Acid

    78. 508o021

    79. Q418628

    80. Q-100572

    81. (3.beta.)-3-beta-hydroxy-olean-12-en-28-oic Acid

    82. Oleanolic Acid, Primary Pharmaceutical Reference Standard

    83. C7ee6acc-7175-4947-b524-ff8479525da1

    84. Oleanolic Acid (constituent Of Banaba Leaf) [dsc]

    85. Oleanolic Acid (constituent Of Holy Basil Leaf) [dsc]

    86. Oleanolic Acid, European Pharmacopoeia (ep) Reference Standard

    87. Oleanolic Acid, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 456.7 g/mol
    Molecular Formula C30H48O3
    XLogP37.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass456.36034539 g/mol
    Monoisotopic Mass456.36034539 g/mol
    Topological Polar Surface Area57.5 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity885
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1