loader
Please Wait
Applying Filters...

Suanfarma Suanfarma

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about 11-Keto-Beta-Boswellic Acid, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    11-Keto-Beta-Boswellic Acid

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 11-keto-beta-boswellic acid, 17019-92-0, 11-oxo-.beta.-boswellic acid, 11-keto-.beta.-boswellic acid, Beta-boswellic acid,11-keto, 3.alpha.-hydroxy-11-oxours-12-en-24-oic acid
    Molecular Formula
    C30H46O4
    Molecular Weight
    470.7  g/mol
    InChI Key
    YIMHGPSYDOGBPI-IQQSWPBXSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R,4R,6aR,6bS,8aR,11R,12S,14bS)-3-hydroxy-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/C30H46O4/c1-17-8-11-26(3)14-15-28(5)19(23(26)18(17)2)16-20(31)24-27(4)12-10-22(32)30(7,25(33)34)21(27)9-13-29(24,28)6/h16-18,21-24,32H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21?,22-,23?,24?,26-,27+,28-,29-,30-/m1/s1
    2.1.3 InChI Key
    YIMHGPSYDOGBPI-IQQSWPBXSA-N
    2.1.4 Canonical SMILES
    CC1CCC2(CCC3(C(=CC(=O)C4C3(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(=O)C4[C@]3(CCC5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)C2[C@H]1C)C)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 11-keto-beta-boswellic Acid

    2. 11-keto-boswellic Acid

    2.2.2 Depositor-Supplied Synonyms

    1. 11-keto-beta-boswellic Acid

    2. 17019-92-0

    3. 11-oxo-.beta.-boswellic Acid

    4. 11-keto-.beta.-boswellic Acid

    5. Beta-boswellic Acid,11-keto

    6. 3.alpha.-hydroxy-11-oxours-12-en-24-oic Acid

    7. 11-keto? Boswellic Acid

    8. 11-keto -boswellic Acid

    9. Schembl12786613

    10. Chebi:168160

    11. Mfcd06656312

    12. (3r,4r,6ar,6bs,8ar,11r,12s,14bs)-3-hydroxy-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

    13. Ac-35149

    14. 3-hydroxy-11-oxo-12-ursen-24-oic Acid

    15. 019k920

    16. A1-06835

    2.3 Create Date
    2006-07-28
    3 Chemical and Physical Properties
    Molecular Weight 470.7 g/mol
    Molecular Formula C30H46O4
    XLogP37.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass470.33960994 g/mol
    Monoisotopic Mass470.33960994 g/mol
    Topological Polar Surface Area74.6 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity954
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count3
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY