6438437 -OEChem-05102418592D 75 80 0 1 0 0 0 0 0999 V2000 7.2227 -3.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3368 1.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9714 1.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0415 2.8789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2169 0.8416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6016 2.5116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7927 -2.2763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7687 -2.2093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8880 -0.5054 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3561 -1.4186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8627 -0.4621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3218 -1.2856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6725 0.1467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7906 -2.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1192 0.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3547 -1.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3627 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4558 -1.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6717 0.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5897 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3968 0.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2063 0.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7237 -1.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1984 1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8382 1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1379 1.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 -1.2856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4440 1.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9151 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5989 -0.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0643 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4063 2.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 1.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3060 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8774 0.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1230 1.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2299 0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0049 -2.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7207 -0.6757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6935 -0.8984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 -2.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9781 0.6862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7502 -2.9602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4093 -2.3820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8311 -1.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3214 -2.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9738 -1.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 -0.8531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4332 1.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4558 -2.4056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5394 -0.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2452 -0.1291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5897 -0.6655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9583 0.2243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3252 -2.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1222 -2.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2372 2.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5763 2.0671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2706 -1.0862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5596 3.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7628 -0.2840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6869 -1.4024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5725 -2.2717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4418 -2.3862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5585 2.8568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 1.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3217 0.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7196 1.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9926 -0.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8027 -0.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4671 0.5776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 2.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 16 2 0 0 0 0 3 18 2 0 0 0 0 4 31 2 0 0 0 0 35 5 1 1 0 0 0 5 75 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 51 1 0 0 0 0 7 26 1 0 0 0 0 7 29 1 0 0 0 0 7 62 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 6 0 0 0 9 13 1 0 0 0 0 9 40 1 6 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 41 1 1 0 0 0 11 17 1 6 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 6 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 43 1 1 0 0 0 14 20 1 1 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 52 1 0 0 0 0 20 23 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 24 1 0 0 0 0 21 55 1 0 0 0 0 22 27 2 0 0 0 0 22 56 1 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 24 28 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 29 1 0 0 0 0 25 30 2 0 0 0 0 26 59 1 0 0 0 0 27 31 1 0 0 0 0 27 60 1 0 0 0 0 28 32 1 0 0 0 0 28 33 1 6 0 0 0 28 61 1 0 0 0 0 29 34 2 0 0 0 0 30 37 1 0 0 0 0 30 63 1 0 0 0 0 31 35 1 0 0 0 0 32 36 2 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 38 1 0 0 0 0 34 68 1 0 0 0 0 35 36 1 0 0 0 0 35 69 1 0 0 0 0 36 39 1 0 0 0 0 37 38 2 0 0 0 0 37 70 1 0 0 0 0 38 71 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 M END > 6438437 > 1 > 1140 > 5 > 3 > 2 > AAADcfB/OAAAAAAAAAAAAAAAEgAAAWLAAAAwYAAABIAAAFgB8AAAHgAQCAAAD3zhngY+wPLJlgCoA7V3VAKCgCAxAiAI2aF4ZNgINPrIkZGGcAhk1gDI2Ye+3PPPgAAAAAACAADAAAYAADQAAAAAAAAAAA== > (1R,3E,6R,7E,9S,11E,13R,14S,16R,17S,18R,19S)-6-hydroxy-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione > (1R,3E,6R,7E,9S,11E,13R,14S,16R,17S,18R,19S)-6-hydroxy-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]heneicosa-3,7,11-triene-2,5,21-trione > (1R,3E,6R,7E,9S,11E,13R,14S,16R,17S,18R,19S)-6-hydroxy-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione > (1R,3E,6R,7E,9S,11E,13R,14S,16R,17S,18R,19S)-6-hydroxy-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione > (1R,3E,6R,7E,9S,11E,13R,14S,16R,17S,18R,19S)-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-6-oxidanyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione > (1R,3E,6R,7E,9S,11E,13R,14S,16R,17S,18R,19S)-6-hydroxy-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]heneicosa-3,7,11-triene-2,5,21-trione > InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37H,8,15H2,1-4H3,(H,34,38)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,27-,28+,29-,31+,32+/m0/s1 > OUMWCYMRLMEZJH-VOXRAUTJSA-N > 3.7 > 528.26242225 > C32H36N2O5 > 528.6 > CC1CC=CC2C3C(O3)(C(C4C2(C(=O)C=CC(=O)C(C(=C1)C)O)C(=O)NC4CC5=CNC6=CC=CC=C65)C)C > C[C@H]\1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)O)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C > 112 > 528.26242225 > 0 > 39 > 9 > 0 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 10 41 5 11 17 6 12 16 6 13 43 5 14 20 5 23 25 8 23 26 8 25 29 8 25 30 8 28 33 6 29 34 8 30 37 8 34 38 8 37 38 8 35 5 5 7 26 8 7 29 8 8 15 6 9 40 6 $$$$