Mol:COX00092

Latest revision as of 20:48, 21 February 2011

5701990 
  CDK    9/16/09,17:14 
 
 57 60  0  0  0  0  0  0  0  0999 V2000 
    8.6500    1.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.2963    0.9572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3931   -0.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3931    0.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5271   -1.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6610   -0.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7510   -1.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5271    0.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6610    0.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3393    0.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3393   -1.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5431   -2.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9229   -0.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7430   -2.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3931    1.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6451   -2.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8242   -0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7587   -0.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8763   -1.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8076   -2.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8680   -2.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.6285    1.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9391    2.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.9176    2.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.4587   -1.3765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0664   -1.5659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1980   -0.4500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9256    1.2149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1285    1.2149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4490    0.8226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0505    0.1323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    7.9019    0.9841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0883   -1.6317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    8.8767   -1.3740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7612   -2.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1523   -2.1860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    9.3838   -0.6747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    9.3838    0.1547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0131    1.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3931    1.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7731    1.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2478   -3.3053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0460   -3.3022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2324   -0.2361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4343   -0.2207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3787   -0.2717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7635    0.3531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1388   -0.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6718   -0.6454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2647   -1.3321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8100   -3.4782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9186    3.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    9.3253    2.7393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   11.0455    2.2515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5243    2.9861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   10.7898    3.4649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
 11  1  1  1  0  0  0 
  1 23  1  0  0  0  0 
  2 22  2  0  0  0  0 
  3 23  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4 12  1  0  0  0  0 
  4 26  1  0  0  0  0 
  5  9  1  0  0  0  0 
  5 11  1  0  0  0  0 
  5 16  1  1  0  0  0 
  6  7  1  0  0  0  0 
  6 13  1  0  0  0  0 
  6 27  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7 10  1  0  0  0  0 
  7 28  1  0  0  0  0 
  8 15  1  0  0  0  0 
  8 18  1  0  0  0  0 
  8 19  1  1  0  0  0 
  9 10  1  0  0  0  0 
  9 29  1  0  0  0  0 
  9 30  1  0  0  0  0 
 10 31  1  0  0  0  0 
 10 32  1  0  0  0  0 
 11 14  1  0  0  0  0 
 11 33  1  0  0  0  0 
 12 14  1  0  0  0  0 
 12 34  1  0  0  0  0 
 12 35  1  0  0  0  0 
 13 17  1  0  0  0  0 
 13 36  1  0  0  0  0 
 13 37  1  0  0  0  0 
 14 38  1  0  0  0  0 
 14 39  1  0  0  0  0 
 15 17  1  0  0  0  0 
 15 21  2  0  0  0  0 
 16 40  1  0  0  0  0 
 16 41  1  0  0  0  0 
 16 42  1  0  0  0  0 
 17 43  1  0  0  0  0 
 17 44  1  0  0  0  0 
 18 20  1  0  0  0  0 
 18 45  1  0  0  0  0 
 18 46  1  0  0  0  0 
 19 47  1  0  0  0  0 
 19 48  1  0  0  0  0 
 19 49  1  0  0  0  0 
 20 22  1  0  0  0  0 
 20 50  1  0  0  0  0 
 20 51  1  0  0  0  0 
 21 22  1  0  0  0  0 
 21 52  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 24 53  1  0  0  0  0 
 24 54  1  0  0  0  0 
 25 55  1  0  0  0  0 
 25 56  1  0  0  0  0 
 25 57  1  0  0  0  0 
S  SKP  6 
NAME	Testosterone_Propionate 
ID	COX00092 
FORMULA	C22H32O3 
EXACTMASS	344.23514489 
AVERAGEMASS	344.48768 
SMILES	[H]C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])4)C(C([H])([H])[H])(C([H])([H])3)C([H])(C([H])([H])4)C([H])(C([H])([H])1)C([H])(C([H])([H])3)C(C([H])([H])[H])(C([H])([H])2)C(=C([H])C(=O)C([H])([H])2)C([H])([H])1 
M  END