-ISIS-  05031710462D

 60 66  0  0  0  0  0  0  0  0999 V2000
    2.9083  -15.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9083  -15.9292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6542  -16.3583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4042  -15.9292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4042  -15.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6542  -14.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500  -16.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000  -15.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000  -15.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1500  -14.6375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6500  -14.6375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6500  -13.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000  -13.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500  -13.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3958  -15.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1458  -14.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1458  -13.7708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3958  -13.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583  -16.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250  -17.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042  -14.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000  -14.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917  -14.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500  -15.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875  -17.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917  -13.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917  -12.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1458  -12.0417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3958  -12.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500  -15.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042  -16.7917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417  -13.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917  -15.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5750  -11.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125  -11.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500  -17.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500  -11.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1458  -10.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167  -10.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583  -14.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125  -16.7917    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6625  -16.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875  -16.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875  -17.6583    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6625  -18.0875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4125  -17.6583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6625  -18.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583  -18.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333  -18.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5792  -17.6583    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5833  -16.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333  -16.3667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0833  -16.7958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0833  -17.6583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3333  -18.0875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8292  -18.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375  -15.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8292  -16.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375  -18.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833  -15.0750    0.0000 O   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  2  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  2  0  0  0  0
  3 20  1  1  0  0  0
  5 21  1  1  0  0  0
  9 22  1  1  0  0  0
 17 23  1  1  0  0  0
 11 24  1  6  0  0  0
  3 25  1  6  0  0  0
 17 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 18  1  0  0  0  0
 10 30  1  6  0  0  0
  4 31  1  6  0  0  0
 23 32  1  0  0  0  0
 23 33  2  0  0  0  0
 28 34  1  6  0  0  0
 28 35  1  1  0  0  0
 25 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  2  0  0  0  0
 37 39  1  0  0  0  0
  1 40  1  1  0  0  0
  2 19  1  1  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 41  1  0  0  0  0
 41 19  1  1  0  0  0
 45 47  1  1  0  0  0
 46 48  1  6  0  0  0
 44 49  1  6  0  0  0
 50 49  1  1  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 50  1  0  0  0  0
 54 56  1  1  0  0  0
 52 57  1  1  0  0  0
 53 58  1  6  0  0  0
 55 59  1  6  0  0  0
 57 60  1  0  0  0  0
M  END
>  <Catalog No.>
CFN90658

>  <Name>
Esculentoside T

>  <CAS Number>
N/A

>  <Purity>
98%

>  <Formula>
C42H64O16

>  <Mol Weight>
824.4

>  <Physical Description>
Powder

>  <Type of Compound>
Triterpenoids

>  <Solvent>
Pyridine, Methanol, Ethanol, etc.

>  <WebLink>
http://www.chemfaces.com/natural/Esculentoside-T-CFN90658.html

$$$$