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    Technical details about 18 Beta-Glycyrrhetinic Acid, learn more about the structure, uses, toxicity, action, side effects and more

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    18 Beta-Glycyrrhetinic Acid

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: Chembl393824
    Molecular Formula
    C30H46O4
    Molecular Weight
    470.7  g/mol
    InChI Key
    MPDGHEJMBKOTSU-HDCNTZMNSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,4aS,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23?,26+,27+,28-,29+,30+/m0/s1
    2.1.3 InChI Key
    MPDGHEJMBKOTSU-HDCNTZMNSA-N
    2.1.4 Canonical SMILES
    CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C
    2.1.5 Isomeric SMILES
    C[C@]12CC[C@@](C[C@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Chembl393824

    2.3 Create Date
    2009-11-19
    3 Chemical and Physical Properties
    Molecular Weight 470.7 g/mol
    Molecular Formula C30H46O4
    XLogP36.4
    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
    Complexity965
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1