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    Squalene API

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    2D Structure
    Also known as: Super squalene; trans-squalene;addavax, 7683-64-9, Squalen, Chembl3561564, Dtxsid4064767, Akos025243731
    Molecular Formula
    C30H50
    Molecular Weight
    410.7  g/mol
    InChI Key
    YYGNTYWPHWGJRM-UHFFFAOYSA-N
    2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene is a natural product found in Ficus septica, Garcinia multiflora, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
    2.1.2 InChI
    InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3
    2.1.3 InChI Key
    YYGNTYWPHWGJRM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Super Squalene; Trans-squalene;addavax

    2. 7683-64-9

    3. Squalen

    4. Chembl3561564

    5. Dtxsid4064767

    6. Akos025243731

    7. Ncgc00181323-02

    8. Ft-0772415

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 410.7 g/mol
    Molecular Formula C30H50
    XLogP311.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count15
    Exact Mass410.391251595 g/mol
    Monoisotopic Mass410.391251595 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity578
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count4
    Covalently Bonded Unit Count1