-ISIS-  08251613502D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.3542   -0.4792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2333   -1.9625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2833   -0.1917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2333   -2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.4875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3542   -1.4875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4917   -1.9625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5417    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0917   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2833   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0917   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583   -2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5083    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125    1.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1333    2.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8167   -3.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3583    0.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6 12  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  1  0  0  0  0
 14  2  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17 25  1  0  0  0  0
 18 21  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  2  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 17  2  0  0  0  0
 24  3  1  0  0  0  0
 25 14  1  0  0  0  0
 26  1  1  0  0  0  0
 27  2  1  0  0  0  0
 28 18  1  0  0  0  0
 13 11  1  0  0  0  0
  6  7  1  0  0  0  0
  4 16  1  0  0  0  0
 17  9  1  0  0  0  0
M  END
>  <ID> (STL372848)
STL372848

>  <Rotatable_Bonds> (STL372848)
5

>  <logP> (STL372848)
3.828

>  <PSA> (STL372848)
80.67

>  <H_Donors> (STL372848)
1

>  <H_Acceptors> (STL372848)
5

>  <Number_of_rings> (STL372848)
4

>  <NAME> (STL372848)
17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate

>  <Mol_Weight> (STL372848)
388.50

>  <Mol_Formula> (STL372848)
C23H32O5

>  <Smiles> (STL372848)
CC(=O)OCC(=O)C1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C

$$$$