Cyclovirobuxin D.cdx
csChFnd80/01301316252D

 32 36  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4828    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4828    5.4124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    3.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6372    4.7124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8143    5.8451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2454    7.1719    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6101    7.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3119    8.2087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9473    7.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1666    6.2074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0324    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.5124    0.0000 H   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  1  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 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  1  0  0  0
 20 21  1  0  0  0  0
 17 22  1  6  0  0  0
 16 23  1  6  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  2 26  1  1  0  0  0
 26 27  1  0  0  0  0
  5 28  1  1  0  0  0
 10 28  1  1  0  0  0
  9 29  1  1  0  0  0
 12 30  1  1  0  0  0
 11 31  1  6  0  0  0
  4 32  1  6  0  0  0
M  END
>  <Mol_ID> (1)
825

>  <Formula> (1)
C26H46N2O

>  <MolWeight> (1)
402.65624

>  <Item Name> (1)
Cyclovirobuxin D (Bebuxine)

>  <Catalog Number> (1)
S2402 

>  <Synonyms> (1)
Bebuxine, Cyclovirobuxine, Cyclovirobuxine D, NSC 91722 

>  <Target> (1)
Others

>  <URL> (1)
http://www.selleckchem.com/products/Cyclovirobuxin-D-Bebuxine.html

>  <CAS Number> (1)
860-79-7, 541513-15-9 (XFumaric acid)

$$$$
