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    Cholesteryl Palmitate

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

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    2D Structure
    Also known as: Cholesterol palmitate, 601-34-3, Cholesteryl hexadecanoate, Hexadecanoic acid, cholesteryl ester, Cholesterol, palmitate, Cholest-5-en-3-ol (3.beta.)-, hexadecanoate
    Molecular Formula
    C43H76O2
    Molecular Weight
    625.1  g/mol
    InChI Key
    BBJQPKLGPMQWBU-JADYGXMDSA-N
    FDA UNII
    ZR4D53AD57
    cholesteryl palmitate is a natural product found in Homo sapiens with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 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
    2.1.2 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
    2.1.3 InChI Key
    BBJQPKLGPMQWBU-JADYGXMDSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
    2.1.5 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
    2.2 Other Identifiers
    2.2.1 UNII
    ZR4D53AD57
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Cholesterol Palmitate

    2. 601-34-3

    3. Cholesteryl Hexadecanoate

    4. Hexadecanoic Acid, Cholesteryl Ester

    5. Cholesterol, Palmitate

    6. Cholest-5-en-3-ol (3.beta.)-, Hexadecanoate

    7. 16:0 Cholesteryl Ester

    8. Ce(16:0)

    9. Cholest-5-ene-3-beta-yl Palmitate

    10. 16:0 Cholesterol Ester

    11. Cholest-5-en-3beta-yl Hexadecanoate

    12. Palmitic Acid Cholesteryl Ester

    13. Zr4d53ad57

    14. Nsc-59692

    15. (3beta)-cholest-5-en-3-ol Hexadecanoate

    16. (3beta)-cholest-5-en-3-yl Hexadecanoate

    17. 5-cholestene 3-palmitate

    18. Cholest-5-en-3-ol (3beta)-, 3-hexadecanoate

    19. (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-((r)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl Palmitate

    20. Cholesterol Hexadecanoate

    21. Unii-zr4d53ad57

    22. Einecs 210-002-5

    23. Mfcd00003638

    24. Nsc 59692

    25. 1-palmitoyl-cholesterol

    26. Cholesterol 1-palmitoate

    27. Cholesteryl 1-palmitoate

    28. Cholesteryl Palmitic Acid

    29. Bmse000544

    30. Cholesterol 1-hexadecanoate

    31. Cholesteryl 1-hexadecanoate

    32. Cholesterol Ester(16:0)

    33. Cholesterol 1-palmitoic Acid

    34. Cholesteryl 1-palmitoic Acid

    35. Cholesteryl Hexadecanoic Acid

    36. Cholesteryl Palmitate, 97%

    37. Cholest-5-en-3-yl Palmitate

    38. Schembl295637

    39. Chebi:3663

    40. Cholesterol 1-hexadecanoic Acid

    41. Cholesteryl 1-hexadecanoic Acid

    42. Palmitic Acid Cholesterol Ester

    43. Cholesterol Palmitate, >/=97%

    44. Dtxsid40889356

    45. Cholesterol Ester(16:0/0:0)

    46. Hexadecanoic Acid Cholesteryl Ester

    47. Nsc59692

    48. Zinc8234393

    49. Lmst01020005

    50. 3.beta.-hexadecanoyloxycholest-5-ene

    51. Akos015839810

    52. Akos015915569

    53. (3beta)-cholest-5-en-3-yl Palmitate

    54. Cs-w011424

    55. Ds-4666

    56. Hy-w010708

    57. [(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

    58. 16:0(ce)

    59. Cholest-5-en-3-ol (3beta)-, Hexadecanoate

    60. D95354

    61. Op0201 Component Cholesteryl Palmitate

    62. Cholest-5-en-3-ol (3.beta.)-, 3-hexadecanoate

    63. W-105278

    64. Q27068156

    65. Cholesteryl Palmitate, >=98% (hplc; Detection At 205 Nm)

    66. (3s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-((r)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl Palmitate

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 625.1 g/mol
    Molecular Formula C43H76O2
    XLogP316.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count21
    Exact Mass624.58453166 g/mol
    Monoisotopic Mass624.58453166 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count45
    Formal Charge0
    Complexity904
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1