
C43H56N4O7
2924841-79-0 Copyright (C) 2025 ACS
 57 62  0  0  1  0  0  0  0  0999 V2000
    3.8500   14.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   14.8016    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.4700   12.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400   10.8005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    9.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7801   10.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0901    9.4669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    4.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7101   14.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1701   14.8016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4801   16.1353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   13.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600   13.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   12.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300   12.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   10.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600   10.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400   16.1353    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9470   16.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5096   17.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859   18.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2796   18.6135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    8.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    6.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7801    8.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    5.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5501    6.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7801    5.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8601   10.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4001   10.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0901   12.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1701   12.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8601   13.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4001   13.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9942    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9783    1.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0201   13.4678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.8592   11.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5265   13.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2660   11.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2965   12.4544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2941   15.2301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8770    0.8384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8592   14.9995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 39  1  0  0  0  0
 13 12  1  6  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 18 17  1  6  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 22 23  2  0  0  0  0
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 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 55  1  1  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
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 36 38  2  0  0  0  0
 37 38  1  0  0  0  0
 39 40  2  0  0  0  0
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 41 43  2  0  0  0  0
 42 44  2  0  0  0  0
 43 44  1  0  0  0  0
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 45 47  1  0  0  0  0
 45 56  1  1  0  0  0
 46 48  1  0  0  0  0
 47 49  1  0  0  0  0
 48 49  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
 50 57  1  1  0  0  0
 51 53  1  0  0  0  0
 52 54  1  0  0  0  0
 53 54  1  0  0  0  0
M  END
> <cas.rn>
2924841-79-0

> <cas.index.name>
Not Yet Assigned

> <molecular.formula>
C43H56N4O7

> <molecular.weight>
740.93

> <boiling.point.predicted>
897.497±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.235±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
3.965±0.10    Most Acidic Temp: 25 °C

$$$$
