
C63H88F3N11O7
2922732-54-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  86 98 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 6.0232 16.0105 0.0 0
M  V30 2 C 6.2107 17.5391 0.0 0
M  V30 3 F 7.7393 17.3516 0.0 0
M  V30 4 F 6.3981 19.0677 0.0 0
M  V30 5 F 4.6821 17.7265 0.0 0
M  V30 6 C 1.8862 9.9407 0.0 0 CFG=2
M  V30 7 O 1.4876 11.4282 0.0 0
M  V30 8 C 0.7973 8.8518 0.0 0
M  V30 9 C 0.0000 11.8269 0.0 0
M  V30 10 C 7.3230 11.4601 0.0 0
M  V30 11 C 7.1658 9.4735 0.0 0
M  V30 12 O 10.5975 6.2787 0.0 0
M  V30 13 N 15.7234 9.4303 0.0 0
M  V30 14 C 16.5413 8.3462 0.0 0
M  V30 15 C 17.9238 9.0247 0.0 0 CFG=2
M  V30 16 O 16.4377 6.8097 0.0 0
M  V30 17 O 17.6341 10.0445 0.0 0
M  V30 18 C 28.3532 6.0619 0.0 0
M  V30 19 O 28.2496 4.5254 0.0 0
M  V30 20 C 30.6973 9.5557 0.0 0
M  V30 21 C 7.2237 13.5432 0.0 0
M  V30 22 C 8.6939 13.0398 0.0 0
M  V30 23 N 7.2532 15.0838 0.0 0
M  V30 24 C 9.5823 14.2582 0.0 0
M  V30 25 C 9.3065 11.6248 0.0 0
M  V30 26 C 8.7350 15.5401 0.0 0
M  V30 27 C 11.0871 14.3061 0.0 0
M  V30 28 C 8.4149 10.3741 0.0 0
M  V30 29 C 9.4494 16.9132 0.0 0
M  V30 30 C 11.8158 15.6826 0.0 0
M  V30 31 C 9.1080 8.9796 0.0 0
M  V30 32 C 10.9905 16.9848 0.0 0
M  V30 33 N 13.3740 15.6492 0.0 0 CFG=3
M  V30 34 O 10.6513 8.9394 0.0 0
M  V30 35 C 14.0627 14.2667 0.0 0
M  V30 36 C 14.2276 16.9288 0.0 0
M  V30 37 C 11.3942 7.5967 0.0 0
M  V30 38 C 15.5968 14.1709 0.0 0 CFG=1
M  V30 39 C 15.7636 16.8325 0.0 0
M  V30 40 C 12.9332 7.5629 0.0 0 CFG=2
M  V30 41 C 16.2784 12.7885 0.0 0
M  V30 42 O 16.4475 15.4541 0.0 0
M  V30 43 N 13.7353 8.8781 0.0 0
M  V30 44 C 13.6704 6.2117 0.0 0
M  V30 45 C 15.4180 11.5090 0.0 0 CFG=2
M  V30 46 N 15.5129 8.3875 0.0 0 CFG=3
M  V30 47 C 15.2095 6.1752 0.0 0
M  V30 48 C 16.0965 10.1303 0.0 0
M  V30 49 C 16.0109 7.4896 0.0 0
M  V30 50 C 4.9137 9.5421 0.0 0
M  V30 51 C 3.3737 9.5421 0.0 0
M  V30 52 C 5.6837 8.2085 0.0 0
M  V30 53 N 2.6037 8.2085 0.0 0
M  V30 54 C 4.9137 6.8747 0.0 0
M  V30 55 C 3.3737 6.8747 0.0 0
M  V30 56 N 5.6837 5.5411 0.0 0
M  V30 57 C 7.2237 5.5411 0.0 0
M  V30 58 C 4.9137 4.2074 0.0 0
M  V30 59 C 7.9937 4.2074 0.0 0
M  V30 60 C 5.6837 2.8738 0.0 0
M  V30 61 N 7.2237 2.8738 0.0 0
M  V30 62 C 7.9937 1.5400 0.0 0
M  V30 63 C 7.9937 0.0000 0.0 0
M  V30 64 C 9.3273 0.7700 0.0 0
M  V30 65 N 19.2027 8.1668 0.0 0
M  V30 66 C 20.6485 8.6970 0.0 0
M  V30 67 C 19.2602 6.6279 0.0 0
M  V30 68 C 23.1385 7.5434 0.0 0 CFG=2
M  V30 69 C 20.7416 6.2070 0.0 0
M  V30 70 C 25.6285 6.3896 0.0 0
M  V30 71 C 25.5355 8.8796 0.0 0
M  V30 72 N 27.0744 6.9200 0.0 0
M  V30 73 C 27.0168 8.4589 0.0 0
M  V30 74 C 19.0387 11.0478 0.0 0
M  V30 75 C 20.5669 11.2392 0.0 0
M  V30 76 C 18.3845 12.4420 0.0 0
M  V30 77 C 20.8570 12.7517 0.0 0
M  V30 78 C 19.5083 13.4950 0.0 0
M  V30 79 C 29.7357 6.7404 0.0 0 CFG=2
M  V30 80 C 31.2722 6.6368 0.0 0 CFG=1
M  V30 81 N 30.5936 8.0192 0.0 0
M  V30 82 C 32.5510 5.7787 0.0 0
M  V30 83 C 33.2295 4.3962 0.0 0
M  V30 84 C 34.0876 5.6751 0.0 0
M  V30 85 H 17.1336 14.0728 0.0 0
M  V30 86 H 12.1327 6.2473 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 23
M  V30 3 1 2 3
M  V30 4 1 2 4
M  V30 5 1 2 5
M  V30 6 1 6 7
M  V30 7 1 6 8 CFG=3
M  V30 8 1 6 51
M  V30 9 1 7 9
M  V30 10 1 10 28
M  V30 11 1 11 28
M  V30 12 2 12 37
M  V30 13 1 13 14
M  V30 14 1 45 13 CFG=1
M  V30 15 1 14 15
M  V30 16 2 14 16
M  V30 17 1 15 65
M  V30 18 1 15 74 CFG=3
M  V30 19 2 17 48
M  V30 20 2 18 19
M  V30 21 1 18 72
M  V30 22 1 79 18 CFG=3
M  V30 23 1 20 81
M  V30 24 2 21 22
M  V30 25 1 21 23
M  V30 26 1 21 50
M  V30 27 1 22 24
M  V30 28 1 22 25
M  V30 29 1 23 26
M  V30 30 1 24 26
M  V30 31 2 24 27
M  V30 32 1 25 28
M  V30 33 2 26 29
M  V30 34 1 27 30
M  V30 35 1 28 31
M  V30 36 1 29 32
M  V30 37 2 30 32
M  V30 38 1 30 33
M  V30 39 1 31 34
M  V30 40 1 33 35
M  V30 41 1 33 36
M  V30 42 1 34 37
M  V30 43 1 35 38
M  V30 44 1 36 39
M  V30 45 1 37 40
M  V30 46 1 38 41
M  V30 47 1 38 42
M  V30 48 1 38 85 CFG=3
M  V30 49 1 39 42
M  V30 50 1 40 43
M  V30 51 1 40 44
M  V30 52 1 40 86 CFG=3
M  V30 53 1 41 45
M  V30 54 1 43 46
M  V30 55 1 44 47
M  V30 56 1 45 48
M  V30 57 1 46 48
M  V30 58 1 46 49
M  V30 59 1 47 49
M  V30 60 2 50 51
M  V30 61 1 50 52
M  V30 62 1 51 53
M  V30 63 2 52 54
M  V30 64 2 53 55
M  V30 65 1 54 55
M  V30 66 1 54 56
M  V30 67 1 56 57
M  V30 68 1 56 58
M  V30 69 1 57 59
M  V30 70 1 58 60
M  V30 71 1 59 61
M  V30 72 1 60 61
M  V30 73 1 61 62
M  V30 74 1 62 63
M  V30 75 1 62 64
M  V30 76 1 63 64
M  V30 77 1 65 66
M  V30 78 1 65 67
M  V30 79 1 68 66 CFG=3
M  V30 80 1 67 69
M  V30 81 1 68 69
M  V30 82 1 68 70
M  V30 83 1 68 71
M  V30 84 1 70 72
M  V30 85 1 71 73
M  V30 86 1 72 73
M  V30 87 1 74 75
M  V30 88 1 74 76
M  V30 89 1 75 77
M  V30 90 1 76 78
M  V30 91 1 77 78
M  V30 92 1 79 80
M  V30 93 1 79 81
M  V30 94 1 80 81
M  V30 95 1 80 82 CFG=3
M  V30 96 1 82 83
M  V30 97 1 82 84
M  V30 98 1 83 84
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(8 6 15 38 40 45 68 79 80)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2922732-54-3

> <cas.index.name>
Not Yet Assigned

> <molecular.formula>
C63H88F3N11O7

> <molecular.weight>
1168.44

> <density.predicted>
1.45±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
13.79±0.40    Most Acidic Temp: 25 °C

$$$$
