Mol:Bufalin

 
  ACD/Labs11200718162D 
 
 31 35  0  0  1  0  0  0  0  0  1 V2000 
   27.1590  -11.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.1590  -12.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.0071  -10.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.0071  -13.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.8553  -11.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.8553  -12.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.4627  -11.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.4627  -12.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.3108  -10.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.3108  -13.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.6146   -9.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.6146  -10.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.4627   -8.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.3109   -9.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.9183   -9.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.9183  -10.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.7663   -8.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.7663   -7.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.6144   -6.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.9182   -6.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.6145   -5.4159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   32.9182   -5.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.7663   -4.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.7035  -13.3961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   27.1590  -10.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.1589  -14.0611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   29.4627  -10.0711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   30.6145  -12.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   30.6145   -8.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.7663   -3.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   28.3108  -12.0661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  3  1  1  0  0  0  0 
  4  2  1  0  0  0  0 
  5  3  1  0  0  0  0 
  6  4  1  0  0  0  0 
  6  5  1  0  0  0  0 
  8  7  1  0  0  0  0 
 10  8  1  0  0  0  0 
  1  9  1  0  0  0  0 
  2 10  1  0  0  0  0 
  2  1  1  0  0  0  0 
 13 11  1  0  0  0  0 
  7 12  1  0  0  0  0 
 14 13  1  0  0  0  0 
  9  7  1  0  0  0  0 
  9 14  1  0  0  0  0 
 16 15  1  0  0  0  0 
 17 15  1  0  0  0  0 
 11 17  1  0  0  0  0 
 12 11  1  0  0  0  0 
 19 18  2  0  0  0  0 
 20 18  1  0  0  0  0 
 21 19  1  0  0  0  0 
 22 20  2  0  0  0  0 
 23 21  1  0  0  0  0 
 23 22  1  0  0  0  0 
 17 18  1  1  0  0  0 
  6 24  1  1  0  0  0 
  1 25  1  1  0  0  0 
  2 26  1  1  0  0  0 
  7 27  1  1  0  0  0 
 12 28  1  1  0  0  0 
 11 29  1  1  0  0  0 
 23 30  2  0  0  0  0 
  9 31  1  6  0  0  0 
 12 16  1  0  0  0  0 
S  SKP  5 
ID	Bufalin 
FORMULA	C24H34O4 
EXACTMASS	386.24570957599997 
AVERAGEMASS	386.52436 
SMILES	C(C1([H])4)(C)(C5)C([H])(CC(O)C5)CCC(C(C(C)(CC4)2)(O)CCC2C(C=3)=COC(=O)C3)1[H] 
M  END