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    Boswellia Serrata

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: Acetyl-11-keto-beta-boswellic acid, 3-acetyl-11-keto-, A-boswellic acid, Schembl18306260, Akos030242645, 3-o-acetyl-11-keto-
    Molecular Formula
    C32H48O5
    Molecular Weight
    512.7  g/mol
    InChI Key
    HMMGKOVEOFBCAU-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
    2.1.2 InChI
    InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)
    2.1.3 InChI Key
    HMMGKOVEOFBCAU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C(=O)O)OC(=O)C)C)C)C2C1C)C)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 3-o-acetyl-11-keto-boswellic Acid

    2. Acetyl-11-keto-beta-boswellic Acid

    3. Acetyl-11-keto-boswellic Acid

    4. Acetyl-11-ketoboswellic Acid

    5. Ackba

    6. Akba Cpd

    2.2.2 Depositor-Supplied Synonyms

    1. Acetyl-11-keto-beta-boswellic Acid

    2. 3-acetyl-11-keto-

    3. A-boswellic Acid

    4. Schembl18306260

    5. Akos030242645

    6. 3-o-acetyl-11-keto-

    7. A-boswellic Acid

    8. As-68374

    9. 3

    10. A-acetoxy-11-oxo-12-ursen-24-oic Acid

    2.3 Create Date
    2007-12-04
    3 Chemical and Physical Properties
    Molecular Weight 512.7 g/mol
    Molecular Formula C32H48O5
    XLogP37.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass512.35017463 g/mol
    Monoisotopic Mass512.35017463 g/mol
    Topological Polar Surface Area80.7 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity1060
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count11
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1