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    Campesterol

    PharmaCompass
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    2D Structure
    Also known as: 474-62-4, Campesterin, Campasterol, Campest-5-en-3beta-ol, 24(r)-methylcholesterol, Ergost-5-en-3-ol, (3beta,24r)-
    Molecular Formula
    C28H48O
    Molecular Weight
    400.7  g/mol
    InChI Key
    SGNBVLSWZMBQTH-PODYLUTMSA-N
    FDA UNII
    5L5O665639
    Campesterol is a steroid derivative that is the simplest sterol, characterized by the hydroxyl group in position C-3 of the steroid skeleton, and saturated bonds throughout the sterol structure, with the exception of the 5-6 double bond in the B ring.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    2.1.2 InChI
    InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
    2.1.3 InChI Key
    SGNBVLSWZMBQTH-PODYLUTMSA-N
    2.1.4 Canonical SMILES
    CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
    2.1.5 Isomeric SMILES
    C[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
    2.2 Other Identifiers
    2.2.1 UNII
    5L5O665639
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 22,23-dihydrobrassicasterol

    2. 24 Alpha-methylcholest-5-en-3 Beta-ol

    3. 24-methylcholesterol

    4. Campesterol, (3beta)-isomer

    5. Campesterol, (3beta,24xi)-isomer

    6. Ergost-5-en-3 Beta- Ol, 24 Epimer

    2.3.2 Depositor-Supplied Synonyms

    1. 474-62-4

    2. Campesterin

    3. Campasterol

    4. Campest-5-en-3beta-ol

    5. 24(r)-methylcholesterol

    6. Ergost-5-en-3-ol, (3beta,24r)-

    7. Ergost-5-en-3-ol, (3b,24r)-

    8. Nsc 224330

    9. (24r)-5-ergosten-3b-ol

    10. Chebi:28623

    11. Ergost-5-en-3beta-ol, (24r)-

    12. (3s,8s,9s,10r,13r,14s,17r)-17-[(2r,5r)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol

    13. .delta.5-24-isoergosten-3.beta.-ol

    14. 5l5o665639

    15. 24.alpha.-methylcholesterol

    16. Ergost-5-en-3-ol

    17. (24s)-beta-methyl Cholesterol

    18. Mieyajunsu A

    19. Nsc-224330

    20. (24r)-methylcholest-5-en-3.beta.-ol

    21. (3beta,24r)-ergost-5-en-3-ol

    22. (8r,9s,10s,13r,14s,17r)-17-((2r,5r)-5,6-dimethylheptan-2-yl)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol

    23. 24.alpha.-methyl-5-cholesten-3.beta.-ol

    24. Ergost-5-en-3-ol-, (24r, 3.beta.)-

    25. 24a-methylcholesterol

    26. Campest-5-en-3-ol

    27. Campesterol [mi]

    28. 24alpha-methylcholesterol

    29. 24

    30. A-methyl Cholesterol

    31. Ergost-5-en-3-beta-ol

    32. 24-alpha-methylcholesterol

    33. Schembl94161

    34. Campesterol [who-dd]

    35. (24r)ergost-5-en-3beta-ol

    36. 24-methyl-5-cholestene-3-ol

    37. Chembl520535

    38. (24r)-ergost-5-en-3b-ol

    39. (3-beta)-ergost-5-en-3-ol

    40. 24a-methyl-5-cholesten-3b-ol

    41. Delta5-24-isoergosten-3beta-ol

    42. (24r)-5-ergosten-3-beta-ol

    43. (24r)-ergost-5-en-3beta-ol

    44. Cholest 5-en-3-ol, 24-methyl

    45. 24-methylcholest-5-en-3beta-ol

    46. (24r)-ergost-5-en-3-beta-ol

    47. Dtxsid801009891

    48. Unii-5l5o665639

    49. (3b,24r)-ergost-5-en-3-ol

    50. (24r)-methylcholest-5-en-3b-ol

    51. Hy-n1459

    52. Zinc4095721

    53. Einecs 207-484-4

    54. Lmst01030097

    55. Mfcd28143670

    56. (3-beta-24r)-ergost-5-en-3-ol

    57. Cs-6302

    58. (24r)-24-methylcholest-5-en-3beta-ol

    59. Ac-34100

    60. (3.beta.,24r)-ergost-5-en-3-ol

    61. C01789

    62. Campesterol (constituent Of Pygeum) [dsc]

    63. Q2756479

    64. Campesterol (constituent Of Saw Palmetto) [dsc]

    65. Bf0849b6-7a25-4057-93a9-eb053e920c49

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 400.7 g/mol
    Molecular Formula C28H48O
    XLogP38.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count5
    Exact Mass400.370516150 g/mol
    Monoisotopic Mass400.370516150 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity620
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1