481-29-8

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Also known as: 481-29-8, Trans-androsterone, Isoandrosterone, Iso-androsterone, 3beta-hydroxy-5alpha-androstan-17-one, 3beta-hydroxyetioallocholan-17-one

Molecular Formula

C₁₉H₃₀O₂

Molecular Weight

290.4 g/mol

InChI Key

QGXBDMJGAMFCBF-LUJOEAJASA-N

FDA UNII

8TR252Z538

A metabolite of TESTOSTERONE or ANDROSTENEDIONE with a 3-alpha-hydroxyl group and without the double bond. The 3-beta hydroxyl isomer is epiandrosterone.

1 2D Structure

481-29-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

2.1.2 InChI

InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1

2.1.3 InChI Key

QGXBDMJGAMFCBF-LUJOEAJASA-N

2.1.4 Canonical SMILES

CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O

2.1.5 Isomeric SMILES

C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O

2.2 Other Identifiers

2.2.1 UNII

8TR252Z538

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3 Alpha Hydroxy 5 Alpha Androstan 17 One

2. 3-alpha-hydroxy-5-alpha-androstan-17-one

3. 5 Alpha Androstan 3 Alpha Ol 17 One

4. 5 Alpha-androstan-3 Alpha-ol-17-one

5. Androsterone

2.3.2 Depositor-Supplied Synonyms

1. 481-29-8

2. Trans-androsterone

3. Isoandrosterone

4. Iso-androsterone

5. 3beta-hydroxy-5alpha-androstan-17-one

6. 3beta-hydroxyetioallocholan-17-one

7. Androstan-17-one, 3-hydroxy-, (3b,5a)-

8. Epi-andosterone

9. (3beta,5alpha)-3-hydroxyandrostan-17-one

10. 5alpha-androstan-3beta-ol-17-one

11. D-epiandrosterone

12. 3-epiandrosterone

13. Androsterone, Epi-

14. Chembl272195

15. 3beta-hydroxy-androstan-17-one

16. Chebi:541975

17. Nsc 93996

18. 8tr252z538

19. (3s,5s,8r,9s,10s,13s,14s)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

20. 3b-androsterone

21. Androsterone, Trans-

22. Smr000718744

23. 3.beta.-hydroxy-5.alpha.-androstan-17-one

24. Androsterone, (3beta)-

25. Nsc-93996

26. Epia

27. Unii-8tr252z538

28. Aox

29. Prestwick_699

30. Einecs 207-563-3

31. Mfcd00064134

32. 3

33. A-androsterone;epia

34. St072176

35. 3-beta-hydroxy-5-alpha-androstan-17-one

36. Prestwick0_000440

37. Prestwick1_000440

38. Prestwick2_000440

39. Prestwick3_000440

40. Ec 207-563-3

41. Epiandrosterone [mi]

42. Bspbio_000460

43. Mls000563092

44. Mls001304190

45. Mls001333976

46. Mls001333977

47. Mls002153812

48. Schembl295167

49. Spbio_002399

50. Bpbio1_000506

51. Dtxsid20289698

52. Hms1569g22

53. Hms2096g22

54. Hms2235i04

55. Hms3713g22

56. Hms3884l18

57. Act02601

58. Epiandrosterone (3

59. A-androsterone)

60. Hy-i0352

61. Zinc3861661

62. Bbl030012

63. Bdbm50236240

64. Lmst02020023

65. S2832

66. Stk801866

67. Akos001582886

68. Ccg-220440

69. Cs-5183

70. Ncgc00142619-02

71. Ncgc00142619-04

72. (1s,2s,5s,7s,11s,15s,10r)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11, 15>]heptadecan-14-one

73. Ac-16141

74. As-13045

75. 5alpha-androstan-17-one, 3beta-hydroxy-

76. (3beta, 5alpha)-androstan-3-ol- 17-one

77. E0374

78. Epiandrosterone 100 Microg/ml In Acetonitrile

79. C07635

80. D95819

81. A827476

82. Androstan-17-one, 3-hydroxy-, (3beta,5alpha)-

83. Sr-01000837513

84. Q5382412

85. Sr-01000837513-2

86. W-106055

87. (3s,5s,8r,10s,13s)-3-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-one

88. (3s,5s,8r,9r,10s,13s,14s)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₃₀O₂
Molecular Weight	290.4 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	290.224580195 g/mol
Monoisotopic Mass	290.224580195 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	459
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1