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    CAS 853-23-6

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    CAS 853-23-6
    Also known as: 853-23-6, Prasterone acetate, Dehydroisoandrosterone 3-acetate, Androstenolone acetate, Dehydroisoandrosterone acetate, Dehydroepiandrosterone 3-acetate
    Molecular Formula
    C21H30O3
    Molecular Weight
    330.5  g/mol
    InChI Key
    NCMZQTLCXHGLOK-ZKHIMWLXSA-N
    FDA UNII
    45751H45MY
    1 2D Structure

    CAS 853-23-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
    2.1.2 InChI
    InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1
    2.1.3 InChI Key
    NCMZQTLCXHGLOK-ZKHIMWLXSA-N
    2.1.4 Canonical SMILES
    CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C
    2.1.5 Isomeric SMILES
    CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C
    2.2 Other Identifiers
    2.2.1 UNII
    45751H45MY
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 853-23-6

    2. Prasterone Acetate

    3. Dehydroisoandrosterone 3-acetate

    4. Androstenolone Acetate

    5. Dehydroisoandrosterone Acetate

    6. Dehydroepiandrosterone 3-acetate

    7. Dhea Acetate

    8. Trans-dehydroandrosterone Acetate

    9. Androst-5-en-17-one, 3-(acetyloxy)-, (3b)-

    10. 3beta-acetoxy-5-androstene-17-one

    11. Dehydroisoandosterone 3-acetate

    12. [(3s,8r,9s,10r,13s,14s)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] Acetate

    13. 3beta-acetoxyandrost-5-en-17-one

    14. 45751h45my

    15. (3beta)-17-oxoandrost-5-en-3-yl Acetate

    16. Dsstox_cid_380

    17. Dsstox_rid_75554

    18. Dsstox_gsid_20380

    19. Ccris 7926

    20. 3-beta-acetoxydehydroepiandrosterone

    21. Skf 2847

    22. Einecs 212-714-1

    23. 5-androsten-3beta-ol-7-one Acetate

    24. 17-oxoandrost-5-en-3beta-yl Acetate

    25. Delta5-dehydroepiandrosterone 3-acetate

    26. Dehydroepiandrost-5-en-17-one 3-acetate

    27. 3beta-hydroxy-5-androsten-17-one Acetate

    28. 3beta-hydroxyandrost-5-en-17-one Acetate

    29. 3beta-hydroxy-5-androstene-17-one Acetate

    30. 3-beta-hydroxyandrost-5-en-17-one Acetate

    31. 3beta-hydroxyandrost-5-en-17-one 3-acetate

    32. Unii-45751h45my

    33. 17-oxoandrost-5-en-3-yl Acetate #

    34. Prasterone-acetate

    35. Ncgc00016544-01

    36. Cas-853-23-6

    37. Androst-5-en-17-one, 3-(acetyloxy)-, (3-beta)-

    38. Prestwick0_000937

    39. Prestwick1_000937

    40. Prestwick2_000937

    41. Prestwick3_000937

    42. Androst-5-en-17-one, 3-beta-hydroxy-, Acetate

    43. Bspbio_000874

    44. Mls002154068

    45. Schembl298142

    46. Spbio_003043

    47. Bpbio1_000962

    48. Chembl1480686

    49. Dtxsid3020380

    50. Chebi:135410

    51. 3betaacetoxy-5-androstene-17-one

    52. Hms1570l16

    53. Hms2097l16

    54. Hms2230i06

    55. Hms3714l16

    56. 3beta-acetoxy-5-androsten-17-one

    57. (3s,8r,9s,10r,13s,14s)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl Acetate

    58. Hy-b1405

    59. Zinc3881408

    60. 3beta-acetoxy-androst-5-en-17-one

    61. Tox21_110485

    62. Tox21_200963

    63. S5508

    64. 3-(acetyloxy)androst-5-ene-17-one

    65. 3beta-acetoxy-5-androstene -17-one

    66. Akos015895423

    67. Ccg-220937

    68. Cs-6082

    69. Dehydroisoandrosterone 3-acetate, 97%

    70. Fd12035

    71. Ncgc00179388-01

    72. Ncgc00179388-02

    73. Ncgc00258516-01

    74. As-20015

    75. Smr001233383

    76. (3?)-17-oxoandrost-5-en-3-yl Acetate

    77. 5-androsten-3.beta.-ol-17-one, 3-acetate

    78. Ab00171449

    79. D0045

    80. 853d236

    81. Q-200934

    82. Brd-k96527333-001-03-4

    83. Q27258813

    84. Acetic Acid (3s,8r,10r,13s)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl Ester

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 330.5 g/mol
    Molecular Formula C21H30O3
    XLogP33.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass330.21949481 g/mol
    Monoisotopic Mass330.21949481 g/mol
    Topological Polar Surface Area43.4 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity606
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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