Mrv0541 02241219412D 94 96 0 0 0 0 999 V2000 -3.1331 4.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5305 4.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1057 3.3779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 2.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0782 1.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4754 1.2289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0507 0.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4479 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0232 -0.9019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4205 -1.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9943 -2.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4045 4.4213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7074 4.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9788 4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2818 4.9136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4467 4.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1451 4.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8724 4.5835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5708 5.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2995 4.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0313 3.6197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4479 2.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0424 2.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4589 1.4819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0534 0.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4699 0.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0643 -0.6613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 -1.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0754 -2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -1.7281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 -2.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8606 -1.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 -2.1378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6118 -1.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3419 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0843 -1.8023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3200 -2.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 -2.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1112 -4.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7107 -5.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5012 -4.8490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6923 -4.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0928 -3.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6791 -4.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8716 -5.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 -6.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5168 -5.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8468 -0.9279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1442 -2.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6255 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0824 -0.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3473 -0.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3419 -2.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9943 -3.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7092 -3.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2793 -3.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4241 -3.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2454 -1.6400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1983 -0.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2729 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6853 -0.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6853 0.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2258 0.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3004 1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2533 1.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8408 1.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8408 2.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3278 2.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2807 3.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3697 5.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3605 3.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 5.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0407 6.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4691 6.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9788 3.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3134 5.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4467 3.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 3.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1616 3.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1149 5.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8999 3.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 4.9713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2729 2.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6853 2.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6853 3.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2175 2.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2838 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2285 0.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8161 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8161 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9911 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2948 0.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2394 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 1 70 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 69 1 0 0 0 0 4 5 1 0 0 0 0 4 68 2 0 0 0 0 5 6 1 0 0 0 0 5 65 1 0 0 0 0 6 7 1 0 0 0 0 6 64 1 0 0 0 0 7 8 1 0 0 0 0 7 63 2 0 0 0 0 8 9 1 0 0 0 0 8 60 1 0 0 0 0 9 10 1 0 0 0 0 9 59 1 0 0 0 0 10 11 1 0 0 0 0 10 58 2 0 0 0 0 11 36 1 0 0 0 0 11 54 1 0 0 0 0 12 13 1 0 0 0 0 12 71 1 0 0 0 0 13 14 1 0 0 0 0 13 72 1 0 0 0 0 14 15 1 0 0 0 0 14 75 2 0 0 0 0 15 16 1 0 0 0 0 15 76 1 0 0 0 0 16 17 1 0 0 0 0 16 77 1 0 0 0 0 17 18 1 0 0 0 0 17 81 2 0 0 0 0 18 19 1 0 0 0 0 18 82 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 83 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 84 1 0 0 0 0 23 24 1 0 0 0 0 23 87 2 0 0 0 0 24 25 1 0 0 0 0 24 88 1 0 0 0 0 25 26 1 0 0 0 0 25 89 1 0 0 0 0 26 27 1 0 0 0 0 26 93 2 0 0 0 0 27 28 1 0 0 0 0 27 94 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 37 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 38 1 0 0 0 0 32 33 1 0 0 0 0 32 48 2 0 0 0 0 33 34 1 0 0 0 0 33 49 1 0 0 0 0 34 35 1 0 0 0 0 34 50 1 0 0 0 0 35 36 1 0 0 0 0 35 53 2 0 0 0 0 38 43 1 0 0 0 0 39 40 2 0 0 0 0 39 43 1 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 40 47 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 55 57 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 77 78 1 0 0 0 0 77 79 1 0 0 0 0 78 80 1 0 0 0 0 84 85 1 0 0 0 0 84 86 1 0 0 0 0 89 90 1 0 0 0 0 89 91 1 0 0 0 0 91 92 1 0 0 0 0 M END > CHEM026738 > chemdb > CCC(C)C1NC(=O)C(C(C)C)N(C)C(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)CN(C)C(=O)C(C(C)CC)N(C)C(=O)C(NC(=O)CN(C)C(=O)C(C(C)CC)N(C)C(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O)C(C)C > InChI=1S/C69H115N13O12/c1-26-43(14)54-64(89)79(22)58(42(12)13)69(94)80(23)56(40(8)9)65(90)76(19)37-52(85)77(20)57(41(10)11)68(93)82(25)60(45(16)28-3)67(92)75(18)36-51(84)72-53(38(4)5)63(88)81(24)59(44(15)27-2)66(91)74(17)35-50(83)71-49(33-46-34-70-48-32-30-29-31-47(46)48)62(87)78(21)55(39(6)7)61(86)73-54/h29-32,34,38-45,49,53-60,70H,26-28,33,35-37H2,1-25H3,(H,71,83)(H,72,84)(H,73,86) > RPRXGEAIZUOLRT-UHFFFAOYSA-N > C69H115N13O12 > 1318.7313 > 1317.878816209 > 12 > 144.08065448356825 > 0 > 4 > 0 > 0 > 9,21,30-tris(butan-2-yl)-15-(1H-indol-3-ylmethyl)-1,4,7,13,19,22,28,31,34-nonamethyl-3,6,12,24,33-pentakis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31,34-dodecaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone > 4.90 > 4.057320022333336 > -5.13 > 1 > 3 > 0 > 12.443041557226827 > 11.994749054540547 > -2.4141174928500355 > 285.87999999999994 > 359.6307 > 13 > 0 > 9.79e-03 g/l > 15-(1H-indol-3-ylmethyl)-3,6,12,24,33-pentaisopropyl-1,4,7,13,19,22,28,31,34-nonamethyl-9,21,30-tris(sec-butyl)-1,4,7,10,13,16,19,22,25,28,31,34-dodecaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone > 0 > Omphalotin A > 186511-50-2 $$$$