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  • Cholesteryl pelargonate

    • Cholesteryl pelargonate

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    Catalog Number
    ACM1182667-3
    CAS Number
    1182-66-7
    Product Name
    Cholesteryl pelargonate
    Structure
    Category
    Liquid Crystal (LC) Materials
    Synonyms
    Cholest-5-ene-3-beta-ylnonanoate
    IUPAC Name
    [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate
    Molecular Weight
    526.88
    Molecular Formula
    C36H62O2
    Canonical SMILES
    CCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
    InChI
    InChI=1S/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3/t27-,29+,30+,31-,32+,33+,35+,36-/m1/s1
    InChI Key
    WCLNGBQPTVENHV-MKQVXYPISA-N
    Boiling Point
    360 ºC
    Melting Point
    77 - 82°C
    Flash Point
    300.8°C
    Purity
    98%+
    Density
    0.97 g/cm³
    Appearance
    White crystals
    Assay
    0.99
    Complexity
    797
    Covalently-Bonded Unit Count
    1
    EC Number
    214-658-3
    Exact Mass
    526.474981g/mol
    Formal Charge
    0
    Heavy Atom Count
    38
    MeSH Entry Terms
    cholesteryl nonanoate;cholesteryl pelargonate
    Monoisotopic Mass
    526.474981g/mol
    Packaging
    10 g
    Rotatable Bond Count
    14
    Stability
    Stable under normal temperatures and pressures.
    Storage Conditions
    Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
    UNII
    4313O7P4XW
    XLogP3
    12.7
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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