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  • Cholesteryl Palmitate

    • Cholesteryl Palmitate

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    Catalog Number
    ACM601343
    CAS Number
    601-34-3
    Product Name
    Cholesteryl Palmitate
    Structure
    Category
    Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
    Synonyms
    5-Cholestene 3-palmitate
    Description
    Solid
    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] hexadecanoate
    Molecular Weight
    625.06
    Molecular Formula
    C43H76O2
    Canonical SMILES
    CCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
    InChI
    InChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1
    InChI Key
    BBJQPKLGPMQWBU-JADYGXMDSA-N
    Boiling Point
    604.07 °C
    Melting Point
    74-77 °C(lit.)
    Purity
    95%+
    Density
    0.9299 g/cm³
    Appearance
    Solid
    Storage
    Sealed in dry, store in freezer, under -20 °C
    Complexity
    904
    Covalently-Bonded Unit Count
    1
    EC Number
    210-002-5
    Exact Mass
    624.58453166
    Formal Charge
    0
    Heavy Atom Count
    45
    Isomeric SMILES
    CCCCCCCCCCCCCCCC(=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
    MeSH Entry Terms
    cholesteryl palmitate
    Monoisotopic Mass
    624.58453166
    NSC Number
    59692
    Rotatable Bond Count
    21
    Topological Polar Surface Area
    26.3 Ų
    UNII
    ZR4D53AD57
    XLogP3
    16.4
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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