-ISIS-  05031710462D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.9417   -5.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417   -6.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7333   -6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -6.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -5.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7333   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -6.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1083   -6.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1083   -5.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -6.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625   -7.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6333   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -7.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7333   -4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417   -3.7417    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
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  3  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Catalog No.>
CFN90231

>  <Name>
Isobergapten

>  <CAS Number>
482-48-4

>  <Purity>
98%

>  <Formula>
C12H8O4

>  <Mol Weight>
216.19

>  <Physical Description>
White powder

>  <Type of Compound>
Coumarins

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

>  <WebLink>
http://www.chemfaces.com/natural/Isobergapten-CFN90231.html

$$$$