Monacolin J
  -molcms-05172621502D

 24 26  0  0  1  0  0  0  0  0999 V2000
   -4.3301    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0622   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8660   -1.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7321   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8660    1.5000    0.0000 O   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
   -0.8660    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  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  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 10  1  0  0  0  0
 22 15  1  0  0  0  0
 22 23  1  6  0  0  0
  7 24  1  0  0  0  0
 24  2  1  0  0  0  0
M  END
>  <ProductName>
Monacolin J

>  <CASNumber>
79952-42-4

>  <MolecularFormula>
C19H28O4

>  <MDLNo>


>  <MolWt>
320.42

>  <BoilingPoint>


>  <MeltingPoint>
128-131 oC

>  <MolFile>


>  <Smiles>
O=C1C[C@H](O)C[C@@H](CC[C@H]2[C@@H](C)C=CC3=C[C@H](C)C[C@H](O)[C@]23[H])O1

$$$$
