9578205 -OEChem-05112410002D 108115 0 1 0 0 0 0 0999 V2000 2.6067 -1.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9105 4.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2566 -0.6916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2605 0.3084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5956 -2.7439 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7296 -2.2439 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9215 2.3608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7876 1.8608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8636 -2.7439 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5056 -2.2370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6536 2.3608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0115 1.8539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8636 -3.7439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6536 3.3608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5136 -1.1954 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0035 0.8123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5956 -3.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9215 3.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7296 -4.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7135 -1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7876 3.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8036 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9173 -2.4392 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.5998 2.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6116 -0.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9173 -4.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5998 3.6655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9056 0.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4324 -2.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0847 2.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3337 -3.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1834 2.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4491 -0.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0681 0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4979 -3.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0192 2.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8636 -4.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6536 4.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3803 -2.2732 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1368 1.8901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3887 -1.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1284 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2405 -2.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2766 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1301 -3.0580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2641 -1.9298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6576 2.7858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5269 1.4415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 -2.1274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7435 1.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5113 -0.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0068 -0.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8077 -4.3265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2062 -3.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7095 3.9434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3109 3.2531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 -4.7188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1281 -4.7188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4955 -0.6220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1044 -1.3179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1861 4.3357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3890 4.3357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0216 0.2389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4128 0.9348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -1.9998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3488 1.4891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1372 1.7468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0089 -0.1987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2106 -0.2017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -4.3578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1684 -4.6155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2123 3.7617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5083 -0.1845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3065 -0.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0242 -3.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8224 -3.2832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4929 2.8847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6948 2.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8729 -2.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8729 -3.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6443 2.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6443 3.2755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8464 -0.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0481 -0.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6708 -0.2134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4690 -0.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8779 -3.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4931 -3.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1179 -3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6392 2.8491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0240 3.4739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3993 2.8587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2436 -4.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8636 -5.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4836 -4.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2736 4.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6536 4.9808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0336 4.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9202 -1.9684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5969 1.5852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5171 4.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9243 -3.3165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7738 -3.0993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5567 -2.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5928 2.9334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7433 2.7162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9604 1.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1101 1 0 0 0 0 27 2 1 1 0 0 0 2102 1 0 0 0 0 3 4 1 0 0 0 0 3 41 2 0 0 0 0 4 42 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 5 45 1 0 0 0 0 6 9 1 0 0 0 0 6 20 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 47 1 6 0 0 0 8 11 1 0 0 0 0 8 22 1 0 0 0 0 8 48 1 1 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 9 49 1 0 0 0 0 10 15 1 0 0 0 0 10 29 1 0 0 0 0 10 35 1 1 0 0 0 11 14 1 0 0 0 0 11 24 1 0 0 0 0 11 50 1 6 0 0 0 12 16 1 0 0 0 0 12 30 1 0 0 0 0 12 36 1 1 0 0 0 13 19 1 0 0 0 0 13 26 1 0 0 0 0 13 37 1 1 0 0 0 14 21 1 0 0 0 0 14 27 1 0 0 0 0 14 38 1 1 0 0 0 15 25 1 0 0 0 0 15 33 1 0 0 0 0 15 51 1 0 0 0 0 16 28 1 0 0 0 0 16 34 1 0 0 0 0 16 52 1 6 0 0 0 17 19 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 21 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 25 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 28 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 31 1 0 0 0 0 23 65 1 0 0 0 0 24 32 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 31 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 32 1 0 0 0 0 27 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 29 39 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 30 40 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 33 41 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 42 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 35 89 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 36 92 1 0 0 0 0 37 93 1 0 0 0 0 37 94 1 0 0 0 0 37 95 1 0 0 0 0 38 96 1 0 0 0 0 38 97 1 0 0 0 0 38 98 1 0 0 0 0 39 41 1 0 0 0 0 39 43 1 0 0 0 0 39 99 1 0 0 0 0 40 42 1 0 0 0 0 40 44 1 6 0 0 0 40100 1 0 0 0 0 43103 1 0 0 0 0 43104 1 0 0 0 0 43105 1 0 0 0 0 44106 1 0 0 0 0 44107 1 0 0 0 0 44108 1 0 0 0 0 M END > 9578205 > 1 > 1210 > 4 > 2 > 1 > AAADcfB/MAAAAAAAAAAAAAAAAAAAAYMAAAAwYMGDAAAAAGDAAAAAHgAICAAADxyhgAICAAAAAgAgAQAgAAAAAAAAAAAAAAAwAAAAEAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAACAAAQAACAAAIAADAAAAA== > (2R,3E,5S,8R,9S,10S,13S,14S,17S)-3-[(E)-[(10S,13R)-15-hydroxy-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazono]-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol > (2R,3E,5S,8R,9S,10S,13S,14S,17S)-3-[(E)-[(10S,13R)-15-hydroxy-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinylidene]-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol > (2R,3E,5S,8R,9S,10S,13S,14S,17S)-3-[(E)-[(10S,13R)-15-hydroxy-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinylidene]-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol > (2R,3E,5S,8R,9S,10S,13S,14S,17S)-3-[(E)-[(10S,13R)-15-hydroxy-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinylidene]-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol > (2R,3E,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-[(E)-[(10S,13R)-2,10,13-trimethyl-15-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinylidene]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol > (2R,3E,5S,8R,9S,10S,13S,14S,17S)-3-[(E)-[(10S,13R)-15-hydroxy-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazono]-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol > InChI=1S/C40H64N2O2/c1-23-21-39(5)25(7-9-27-29-11-12-35(44)38(29,4)18-14-30(27)39)19-32(23)41-42-33-20-26-8-10-28-31(40(26,6)22-24(33)2)13-16-37(3)17-15-34(43)36(28)37/h23-31,34-36,43-44H,7-22H2,1-6H3/b41-32+,42-33+/t23-,24?,25+,26?,27+,28?,29+,30+,31?,34?,35+,36?,37-,38+,39+,40+/m1/s1 > ZGNIWNQKJOBSHC-NTFOUPGFSA-N > 9.4 > 604.49677929 > C40H64N2O2 > 604.9 > CC1CC2(C(CCC3C2CCC4(C3CCC4O)C)CC1=NN=C5CC6CCC7C(C6(CC5C)C)CCC8(C7C(CC8)O)C)C > C[C@@H]\1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)C/C1=N\N=C\5/CC6CCC7C([C@]6(CC5C)C)CC[C@]8(C7C(CC8)O)C)C > 65.2 > 604.49677929 > 0 > 44 > 10 > 6 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 23 1 3 10 35 5 11 50 6 12 36 5 13 37 5 14 38 5 15 25 3 16 52 6 27 2 5 39 43 3 40 44 6 5 17 3 6 20 3 7 47 6 8 48 5 9 23 3 $$$$