Cas no 16597-57-2 (Androst-5-en-17-one,3,16-bis(acetyloxy)-, (3b,16b)-)

Androst-5-en-17-one,3,16-bis(acetyloxy)-, (3b,16b)- structure
16597-57-2 structure
Product Name:Androst-5-en-17-one,3,16-bis(acetyloxy)-, (3b,16b)-
CAS No:16597-57-2
MF:C23H32O5
MW:388.497187614441
CID:121755
PubChem ID:14778900
Update Time:2025-04-18

Androst-5-en-17-one,3,16-bis(acetyloxy)-, (3b,16b)- Chemical and Physical Properties

Names and Identifiers

    • Androst-5-en-17-one,3,16-bis(acetyloxy)-, (3b,16b)-
    • [(3S,8R,9S,10R,13S,14S,16S)-16-acetyloxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
    • Androst-5-en-17-one, 3,16-bis(acetyloxy)-, (3beta,16beta)-
    • 3β,16β-Bis(acetyloxy)androst-5-en-17-one
    • RWUHRLQWZKUBTF-HVWUICSASA-N
    • 16597-57-2
    • (3beta,16beta)-17-Oxoandrost-5-ene-3,16-diyl diacetate
    • [(3S,8R,9S,10R,13S,14S,16S)-16-acetoxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
    • DTXSID10563934
    • 16-(Acetyloxy)-17-oxoandrost-5-en-3-yl acetate #
    • Androst-5-en-17-one, 3,16-bis(acetyloxy)-, (3.beta.,16.beta.)-
    • Inchi： 1S/C23H32O5/c1-13(24)27-16-7-9-22(3)15(11-16)5-6-17-18(22)8-10-23(4)19(17)12-20(21(23)26)28-14(2)25/h5,16-20H,6-12H2,1-4H3/t16-,17+,18-,19-,20-,22-,23-/m0/s1
    • InChI Key： RWUHRLQWZKUBTF-HVWUICSASA-N
    • SMILES： O(C(C)=O)[C@@H]1C([C@@]2(C)CC[C@@H]3[C@@]4(C)CC[C@@H](CC4=CC[C@H]3[C@@H]2C1)OC(C)=O)=O

Computed Properties

  • Exact Mass: 388.22506
  • Monoisotopic Mass: 388.22497412g/mol
  • 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
  • XLogP3: 3.8
  • Topological Polar Surface Area: 69.7?2

Experimental Properties

  • PSA: 69.67

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