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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

CAS 853-23-6
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

BUILDING BLOCK

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