Cyclopamine.cdx
csChFnd80/01281315312D

 35 40  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1026    3.0368    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5331    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1408    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4949    2.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178    4.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7484    5.3020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3560    5.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1484    5.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5810    6.6335    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4484    7.4564    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3158    6.6335    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8600    7.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0063    8.5953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8737    9.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5947    8.8487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5337    1.7099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7886    6.7229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3258    7.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6178    5.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4584    8.4464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2808    9.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 17 12  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
  2 26  1  1  0  0  0
  5 27  1  1  0  0  0
 10 28  1  6  0  0  0
  9 29  1  1  0  0  0
 11 30  1  6  0  0  0
 17 31  1  0  0  0  0
 16 17  1  1  0  0  0
 16 15  1  6  0  0  0
 21 32  1  6  0  0  0
 19 33  1  6  0  0  0
 20 34  1  1  0  0  0
 23 35  1  1  0  0  0
M  END
>  <Mol_ID> (1)
110

>  <Formula> (1)
C27H41NO2

>  <MolWeight> (1)
411.61994

>  <Item Name> (1)
Cyclopamine

>  <Catalog Number> (1)
S1146

>  <Synonyms> (1)
11-deoxojervine

>  <Target> (1)
Hedgehog 

>  <URL> (1)
http://www.selleckchem.com/products/Cyclopamine.html

>  <CAS Number> (1)
4449-51-8, 11051-96-0, 26108-61-2

$$$$
