Chol-5-en-24-al-3��-ol
  -molcms-05182602092D

 29 32  0  0  1  0  0  0  0  0999 V2000
   -3.0134   -2.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2213   -1.3272    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1723   -1.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9155   -1.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8666   -1.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6097   -2.0475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4781   -0.6581    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5827    0.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6691    0.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9302    0.9976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1736    0.9848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.8660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5000   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.8660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3264   -1.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.8660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6736   -1.8508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.8660    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0878   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 16  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 12  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28  7  1  0  0  0  0
 28 10  1  0  0  0  0
 28 29  1  1  0  0  0
M  END
>  <ProductName>
Chol-5-en-24-al-3��-ol

>  <CASNumber>
27460-33-9

>  <MolecularFormula>
C24H38O2

>  <MDLNo>


>  <MolWt>
358.56

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
C[C@H](CCC=O)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C

$$$$
