loader
Please Wait
Applying Filters...

Suanfarma Suanfarma

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about 3-Acetyl-Alpha-Boswellic Acid, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    3-Acetyl-Alpha-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: Alpha-acetyl boswellic acid, 3-acetyl-alpha-boswellic acid
    Molecular Formula
    C32H50O4
    Molecular Weight
    498.7  g/mol
    InChI Key
    IAWGZKRQDHPFCZ-GKDVOMOCSA-N
    (3R,4R,6aR,6bS,8aR,12aS,14aR,14bR)-3-(acetyloxy)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid is a natural product found in Boswellia serrata with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R,4R,6aR,6bS,8aR,12aS,14aR,14bR)-3-acetyloxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
    2.1.2 InChI
    InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(5)23-10-9-21-22-19-27(2,3)15-16-28(22,4)17-18-30(21,6)31(23,7)14-11-24(29)32(25,8)26(34)35/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24?,25-,28-,29-,30-,31-,32-/m1/s1
    2.1.3 InChI Key
    IAWGZKRQDHPFCZ-GKDVOMOCSA-N
    2.1.4 Canonical SMILES
    CC(=O)OC1CCC2(C(C1(C)C(=O)O)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C
    2.1.5 Isomeric SMILES
    CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC=C4[C@H]5CC(CC[C@@]5(CC[C@]4([C@@]3(CCC2[C@@]1(C)C(=O)O)C)C)C)(C)C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Alpha-acetyl Boswellic Acid

    2. 3-acetyl-alpha-boswellic Acid

    2.3 Create Date
    2016-02-10
    3 Chemical and Physical Properties
    Molecular Weight 498.7 g/mol
    Molecular Formula C32H50O4
    XLogP38.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass498.37091007 g/mol
    Monoisotopic Mass498.37091007 g/mol
    Topological Polar Surface Area63.6 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity996
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY