-ISIS-  05031710462D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.7417   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7417   -4.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -5.0833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8042   -4.6333    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8042   -3.7417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0292   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -5.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -4.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -3.7417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5792   -3.2917    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1292   -3.2917    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1292   -2.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3542   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -2.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9042   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5167   -5.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -2.8458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -2.8458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -1.5042    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  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 18  1  0  0  0  0
 18 12  1  0  0  0  0
  3 19  1  1  0  0  0
  4 20  1  1  0  0  0
 10 21  1  1  0  0  0
 11 22  1  1  0  0  0
 17 23  1  1  0  0  0
 17 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
  2 30  2  0  0  0  0
  5 31  1  6  0  0  0
  9 32  1  6  0  0  0
 12 33  1  6  0  0  0
M  END
>  <Catalog No.>
CFN99784

>  <Name>
Shionone

>  <CAS Number>
10376-48-4

>  <Purity>
98%

>  <Formula>
C30H50O

>  <Mol Weight>
426.72

>  <Physical Description>
Powder

>  <Type of Compound>
Triterpenoids

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

>  <WebLink>
http://www.chemfaces.com/natural/Shionone-CFN99784.html

$$$$