-ISIS-  05031710462D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.5333   -9.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5333  -10.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167  -11.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917  -10.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -9.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -9.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8708  -11.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542  -10.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -9.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8708   -9.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4333  -11.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542  -11.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708  -10.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708   -9.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -8.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8708   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6458   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6458   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7583   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -8.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7583   -7.2333    0.0000 C   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  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  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  2  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14  1  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Catalog No.>
CFN90592

>  <Name>
Bergamotine

>  <CAS Number>
7380-40-7

>  <Purity>
98%

>  <Formula>
C21H22O4

>  <Mol Weight>
338.4

>  <Physical Description>
Powder

>  <Type of Compound>
Coumarins

>  <Solvent>
Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.

>  <WebLink>
http://www.chemfaces.com/natural/Bergamotine-CFN90592.html

$$$$