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Galanthaminone
Galanthaminone ID: B187322
CAS:510-77-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:[C@]123c4c(O[C@H]1CC(=O)C=C2)c(ccc4CN(CC3)C)OC	
FORMULA: C17H19NO3
MASS: 285.3377
EXACT MASS: 285.1364935
INTERATOMIC DISTANCES

              C   1      C   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.2127     0.0000 
   O   3    1.5484     0.8288     0.0000 
   C   4    0.7634     0.8233     1.5276     0.0000 
   C   5    0.8250     0.9716     0.8305     1.1710     0.0000 
   C   6    1.4943     1.4280     2.2394     0.8250     1.9942     0.0000 
   C   7    0.8288     2.0380     2.2540     1.5180     1.4341     2.0765 
   C   8    1.4293     1.7596     1.2861     1.9699     0.8277     2.7940 
   N   9    1.8619     2.6116     3.2690     1.7890     2.6734     1.5075 
   C  10    0.8379     2.0352     2.3601     1.4123     1.5694     1.8709 
   C  11    1.4289     2.5073     2.4558     2.1903     1.6536     2.8492 
   C  12    1.8636     2.1991     2.9700     1.4497     2.5615     0.8361 
   C  13    2.0032     0.8275     1.3176     1.4250     1.7709     1.6424 
   C  14    1.6555     2.4065     2.0839     2.3702     1.4378     3.1477 
   C  15    2.1796     1.6500     2.4603     1.4238     2.4790     0.8161 
   C  16    2.3758     1.4311     2.1031     1.6436     2.3945     1.4167 
   C  17    1.5035     2.5567     3.0452     1.7816     2.3144     1.8793 
   O  18    2.4832     3.1634     2.7148     3.1923     2.1945     3.9750 
   O  19    2.6356     1.4292     1.4572     2.1795     2.1794     2.4694 
   C  20    2.6775     3.4230     4.0958     2.6041     3.4950     2.2100 
   C  21    3.4011     2.1892     2.2821     2.8625     2.9988     2.9790 

              C   7      C   8      N   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.6529     0.0000 
   N   9    1.7918     3.2525     0.0000 
   C  10    0.3060     1.9003     1.4858     0.0000 
   C  11    0.8226     1.4311     2.5750     1.1138     0.0000 
   C  12    2.1452     3.2845     0.8383     1.8645     2.9677     0.0000 
   C  13    2.8316     2.5029     3.0806     2.7925     3.3343     2.4783 
   C  14    1.4332     0.8299     3.2166     1.7362     0.8279     3.4558 
   C  15    2.8523     3.3066     2.2198     2.6682     3.5905     1.4169 
   C  16    3.1613     3.1904     2.9201     3.0449     3.7952     2.1720 
   C  17    1.1107     2.7251     0.8249     0.8286     1.8167     1.5026 
   O  18    2.1893     1.4378     3.9802     2.4952     1.4362     4.2700 
   O  19    3.4525     2.7428     3.8941     3.4638     3.8290     3.3052 
   C  20    2.4969     4.0422     0.8279     2.1989     3.2166     1.4032 
   C  21    4.2272     3.5663     4.4701     4.2131     4.6427     3.7914 

              C  13      C  14      C  15      C  16      C  17      O  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    3.2071     0.0000 
   C  15    1.4250     3.7874     0.0000 
   C  16    0.8250     3.8145     0.8192     0.0000 
   C  17    3.2013     2.5331     2.6853     3.2506     0.0000 
   O  18    3.9341     0.8277     4.6040     4.5890     3.2481     0.0000 
   O  19    0.8269     3.5367     2.1821     1.4342     3.9582     4.1647 
   C  20    3.8371     3.9285     2.8064     3.5752     1.4020     4.6498 
   C  21    1.4375     4.3630     2.4879     1.6687     4.6374     4.9825 

              O  19      C  20      C  21
              ---------------------------------
   O  19    0.0000 
   C  20    4.6603     0.0000 
   C  21    0.8264     5.1867     0.0000 



ATOMIC CHARGES
   C   1    0.0786712870
   C   2    0.1681719292
   O   3   -0.4753206696
   C   4    0.0187673369
   C   5    0.1810332847
   C   6   -0.0066030694
   C   7   -0.0161159832
   C   8    0.1131961646
   N   9   -0.2677354777
   C  10    0.0290488434
   C  11    0.0334225203
   C  12    0.0989790020
   C  13    0.1720534132
   C  14    0.1764802081
   C  15    0.0000968909
   C  16    0.0397483675
   C  17    0.0731931946
   O  18   -0.2912199145
   O  19   -0.4683823168
   C  20    0.0898945786
   C  21    0.2526204103


BOND ANGLES
   4    1    5  Car   C3   C3     94.907
   4    1    7  Car   C3   C2    144.842
   4    1   10  Car   C3   C3    123.691
   5    1    7   C3   C3   C2    120.251
   5    1   10   C3   C3   C3    141.402
   7    1   10   C2   C3   C3     21.151
   4    2   13  Car  Car  Car    119.365
   3    2    4   O3  Car  Car    135.225
   3    2   13   O3  Car  Car    105.410
   2    3    5  Car   O3   C3     71.682
   1    4    2   C3  Car  Car     99.617
   2    4    6  Car  Car  Car    120.069
   1    4    6   C3  Car  Car    140.315
   1    5    3   C3   C3   O3    138.569
   3    5    8   O3   C3   C3    101.714
   1    5    8   C3   C3   C3    119.717
   4    6   12  Car  Car   C3    121.551
   4    6   15  Car  Car  Car    120.361
  12    6   15   C3  Car  Car    118.088
   1    7   11   C3   C2   C2    119.824
   5    8   14   C3   C3   C2    120.305
  17    9   20   C3   N3   C3    116.041
  12    9   17   C3   N3   C3    129.220
  12    9   20   C3   N3   C3    114.738
   1   10   17   C3   C3   C3    128.887
   7   11   14   C2   C2   C2    120.537
   6   12    9  Car   C3   N3    128.393
   2   13   19  Car  Car   O3    119.511
   2   13   16  Car  Car  Car    119.990
  16   13   19  Car  Car   O3    120.499
  11   14   18   C2   C2   O2    120.330
   8   14   11   C3   C2   C2    119.365
   8   14   18   C3   C2   O2    120.305
   6   15   16  Car  Car  Car    120.073
  13   16   15  Car  Car  Car    120.143
   9   17   10   N3   C3   C3    127.944
  13   19   21  Car   O3   C3    120.795


TORSION ANGLES
  13    2    4    1    179.974
  13    2    4    6      0.026
   3    2    4    1      0.026
   3    2    4    6    179.974
   1    5    3    2      0.026
   8    5    3    2    179.974
   2    4    1    5      0.026
   2    4    1    7    179.974
   2    4    1   10    179.974
   6    4    1    5    179.974
   6    4    1    7      0.026
   6    4    1   10      0.026
   3    5    1    4      0.026
   3    5    1    7    179.974
   3    5    1   10    179.974
   8    5    1    4    179.974
   8    5    1    7      0.026
   8    5    1   10      0.026
  12    6    4    2    179.974
  12    6    4    1      0.026
  15    6    4    2      0.026
  15    6    4    1    179.974
  11    7    1    4    179.974
  11    7    1    5      0.026
  11    7    1   10    179.974
  14    8    5    3    179.974
  14    8    5    1      0.026
  20    9   17   10    179.974
  12    9   17   10      0.026
   4    1   10   17      0.026
   5    1   10   17    179.974
   7    1   10   17    179.974
  14   11    7    1      0.026
   9   12    6    4      0.026
   9   12    6   15    179.974
  19   13    2    4    179.974
  19   13    2    3      0.026
  16   13    2    4      0.026
  16   13    2    3    179.974
  18   14   11    7    179.974
   8   14   11    7      0.026
  16   15    6    4      0.026
  16   15    6   12    179.974
  13   16   15    6      0.026
   9   17   10    1      0.026
  21   19   13    2    179.974
  21   19   13   16      0.026
   5    3    2    4      0.026
   5    3    2   13    179.974
  11   14    8    5      0.026
  18   14    8    5    179.974
  17    9   12    6      0.026
  20    9   12    6    179.974
  15   16   13    2      0.026
  15   16   13   19    179.974


CHIRAL ATOMS
  15   16   13   19    179.974
  15   16   13   19    179.974