-ISIS-  05121709312D

 60 63  0  0  0  0  0  0  0  0999 V2000
    1.6708   -1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6708   -2.1375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8292   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3083   -1.6917    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8292   -2.4083    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9000   -0.3958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3000   -2.7625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6667    0.0500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4583    0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -2.7625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1542   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -2.1375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4542   -3.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -3.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1833   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -0.5792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0667   -1.4625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3250   -2.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2958    0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -2.9917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -3.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -4.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -2.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -4.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7708   -4.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6833   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6833   -0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6833    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8083   -3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -4.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2208   -4.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -4.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5542   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -5.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -5.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8333    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    1.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3167   -1.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7167    0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  1  0  0  0
  1 10  1  1  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  1  0  0  0
  7 16  1  6  0  0  0
  8 17  1  0  0  0  0
 17 18  2  0  0  0  0
  8 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 14  1  0  0  0  0
 14 22  1  6  0  0  0
 21 23  1  0  0  0  0
 20 24  1  1  0  0  0
 20 25  1  6  0  0  0
  2 26  1  6  0  0  0
  5 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 16 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 23 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 36  1  0  0  0  0
 22 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 15 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  2  0  0  0  0
 29 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 52 29  1  0  0  0  0
  9 53  1  0  0  0  0
 53 54  2  0  0  0  0
 53 55  1  0  0  0  0
  4 56  1  1  0  0  0
  4 57  1  6  0  0  0
 57 58  1  0  0  0  0
 58 59  2  0  0  0  0
 58 60  1  0  0  0  0
M  END
>  <Catalog No.>
CFN97144

>  <Name>
Pepluanin A

>  <CAS Number>
670257-89-3

>  <Purity>
> 95%

>  <Formula>
C43H51NO15

>  <Mol Weight>
821.9 

>  <Physical Description>
Cryst.

>  <Type of Compound>
Diterpenoids

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

>  <WebLink>
http://www.chemfaces.com/natural/Pepluanin-A-CFN97144.html

$$$$