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    Beta-Boswellic Acid

    ACTIVE PHARMA INGREDIENTS

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 24,680Xls

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    2D Structure
    Also known as: 631-69-6, B-boswellic acid, (3r,4r,4ar,6ar,6bs,8ar,11r,12s,12ar,14ar,14br)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1h-picene-4-carboxylic acid, B252m1yo2v, Chembl267225, (4r)-3alpha-hydroxyurs-12-en-24-oic acid
    Molecular Formula
    C30H48O3
    Molecular Weight
    456.7  g/mol
    InChI Key
    NBGQZFQREPIKMG-PONOSELZSA-N
    FDA UNII
    B252M1YO2V
    -boswellic acid is a natural product found in Cyclocarya paliurus, Boswellia papyrifera, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
    2.1.2 InChI
    InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1
    2.1.3 InChI Key
    NBGQZFQREPIKMG-PONOSELZSA-N
    2.1.4 Canonical SMILES
    CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1C)C)C
    2.1.5 Isomeric SMILES
    C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]2[C@H]1C)C)C
    2.2 Other Identifiers
    2.2.1 UNII
    B252M1YO2V
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Boswellic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 631-69-6

    2. B-boswellic Acid

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

    4. B252m1yo2v

    5. Chembl267225

    6. (4r)-3alpha-hydroxyurs-12-en-24-oic Acid

    7. Unii-b252m1yo2v

    8. Mfcd04039448

    9. Urs-12-en-24-oic Acid, 3.alpha.-hydroxy-

    10. Mls000697685

    11. .beta.-boswellic Acid

    12. Schembl4385785

    13. Dtxsid2057578

    14. Urs-12-en-23-oic Acid, 3-hydroxy-, (3alpha,4beta)-

    15. Beta-boswellic Acid, Hplc Grade

    16. Chebi:192014

    17. Urs-12-en-23-oic Acid, 3-hydroxy-, (3.alpha.,4.beta.)-

    18. 3-hydroxy-12-ursen-24-oic Acid

    19. (3r,4r,4ar,6ar,6bs,8ar,11r,12s,12ar,14ar,14br)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic Acid

    20. Hy-n2513

    21. .beta.-boswellic Acid [mi]

    22. Bdbm50241260

    23. Zinc14089743

    24. Akos015897120

    25. Lmpr0106180011

    26. Beta-boswellic Acid, Analytical Standard

    27. Ncgc00247633-01

    28. Ac-30252

    29. Smr000445587

    30. Boswellia Serrata Hexane Extract In Hexane

    31. Cs-0022784

    32. (3alpha,4beta)-3-hydroxy-urs-12-en-23-oate

    33. 3.alpha.-hydroxyurs-12-en-24-oic Acid

    34. 631b696

    35. (3alpha,4beta)-3-hydroxy-urs-12-en-23-oic Acid

    36. Q27274271

    37. .beta.-boswellic Acid (constituent Of Boswellia Serrata) [dsc]

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 456.7 g/mol
    Molecular Formula C30H48O3
    XLogP38.3
    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
    Complexity878
    Isotope Atom Count0
    Defined Atom Stereocenter Count11
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Inflammatory Agents, Non-Steroidal

    Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)