Cas no 21936-08-3 ((2alpha,17beta)-3-oxoandrost-4-ene-2,17-diyl diacetate)

(2alpha,17beta)-3-oxoandrost-4-ene-2,17-diyl diacetate structure
21936-08-3 structure
Product Name:(2alpha,17beta)-3-oxoandrost-4-ene-2,17-diyl diacetate
CAS No:21936-08-3
MF:C23H32O5
MW:388.497187614441
CID:912121
PubChem ID:222848
Update Time:2025-04-19

(2alpha,17beta)-3-oxoandrost-4-ene-2,17-diyl diacetate Chemical and Physical Properties

Names and Identifiers

    • (2alpha,17beta)-3-oxoandrost-4-ene-2,17-diyl diacetate
    • 2α-Hydroxy Testosterone 2,17-Diacetate
    • 2β,17β-Diacetoxyandrost-4-en-3-one
    • 2.α.-Hydroxytestosterone, diacetate
    • 2Alpha-Hydroxy Testosterone 2,17-Diacetate
    • NSC9787
    • 2alpha-Hydroxytestosterone, diacetate
    • 2a-Hydroxy Testosterone 2,17-Diacetate
    • NSC-9787
    • 2beta,17beta-Diacetoxyandrost-4-en-3-one
    • [(2R,8R,9S,10R,13S,14S,17S)-2-acetyloxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
    • (2alpha,17beta)-2,17-Bis(acetyloxy)-androst-4-en-3-one; 2alpha,17beta-Diacetoxyandrost-4-en-3-one; NSC 9787
    • Androst-4-en-3-one,17-bis(acetyloxy)-, (2.alpha.,17.beta.)-
    • 21936-08-3
    • 2.alpha.-Hydroxytestosterone, diacetate
    • Inchi： 1S/C23H32O5/c1-13(24)27-20-12-23(4)15(11-19(20)26)5-6-16-17-7-8-21(28-14(2)25)22(17,3)10-9-18(16)23/h11,16-18,20-21H,5-10,12H2,1-4H3
    • InChI Key： XEXPFKWHLWMBQT-UHFFFAOYSA-N
    • SMILES： CC(OC1C2(C(C3C(CC2)C2(C(=CC(C(OC(=O)C)C2)=O)CC3)C)CC1)C)=O

Computed Properties

  • Exact Mass: 388.22500
  • Monoisotopic Mass: 388.225
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 739
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 69.7?2
  • XLogP3: 3.9

Experimental Properties

  • Density: 1.17
  • Boiling Point: 489.2°C at 760 mmHg
  • Flash Point: 210.6°C
  • Refractive Index: 1.539
  • PSA: 69.67000
  • LogP: 3.99160

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