-ISIS-  05031710462D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.1083   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1083   -5.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6833   -5.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6833   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708   -5.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2583   -5.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2583   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0458   -5.7917    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8375   -5.3333    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.8375   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0458   -3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0458   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -7.1542    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6292   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125   -8.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125   -7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2583   -6.2458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0458   -7.6125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0458   -8.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2583   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000   -6.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   -7.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -8.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -8.9750    0.0000 O   0  0  0  0  0  0  0  0  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
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 10 21  1  6  0  0  0
 15 22  1  1  0  0  0
 18 23  2  0  0  0  0
 24 23  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
  1  2  2  0  0  0  0
 27 28  2  0  0  0  0
G   27 18
CHO
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  21
M  SMT   1 CHO
M  SBV   1  21   -0.7900    0.4600
M  END
>  <Catalog No.>
CFN92640

>  <Name>
Vallesiachotamine

>  <CAS Number>
5523-37-5

>  <Purity>
98%

>  <Formula>
C21H22N2O3

>  <Mol Weight>
350.4

>  <Physical Description>
Powder

>  <Type of Compound>
Alkaloids

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

>  <WebLink>
http://www.chemfaces.com/natural/Vallesiachotamine-CFN92640.html

$$$$