View source for Mol:LBG00kk-:18000SC01:YS1CA0002

 
 
 
 25 24  0  0  0  0  0  0  0  0999 V2000 
    2.0233    1.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0330    2.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0330    3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8483    1.5101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8580    3.2151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9795    3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6830    3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0955    2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6830    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8580    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4455    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6205    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2080    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3830    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0295   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8545   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2670   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.5045   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3295   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7420   -2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5670   -2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9795   -3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7955    3.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2080    2.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0 
  2  3  1  0 
  1  4  1  0 
  3  5  1  0 
  5  7  1  0 
  6  7  1  0 
  7  8  1  0 
  8  9  1  0 
  9 10  1  0 
 10 11  1  0 
 11 12  1  0 
 12 13  1  0 
 13 14  1  0 
 14 15  1  0 
 15 16  1  0 
 16 17  1  0 
 17 18  1  0 
 18 19  1  0 
 19 20  1  0 
 20 21  1  0 
 21 22  1  0 
 22 23  1  0 
  2 25  1  0 
 24 25  1  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1 15   7   8   9  10  11  12  13  14  15  16  17  18  19  20  21 
M  SAL   1  2  22  23 
M  SBL   1  2   5   6 
M  SMT   1 (CH2)17 
M  SBV   1   5   -0.8250    0.0000 
M  SBV   1   6    1.2966    0.0000 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  23 
M  SMT   2 CH3^O 
M  SBV   2  23    0.8250    0.0000 
S  SKP  5 
ID	LBG00kk-:18000SC01:YS1CA0002::01 
FORMULA	C22H46O3 
EXACTMASS	358.34469533799995 
AVERAGEMASS	358.59884 
SMILES	CCCCCCCCCCCCCCCCC(C)OCC(CO)OC 
M  END