56681954 -OEChem-05092412472D 85 92 0 1 0 0 0 0 0999 V2000 5.0395 -1.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4805 -1.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5847 -0.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -1.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 2.8946 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0154 1.2230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5328 0.3872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9805 -0.4487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0154 -0.4487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5328 2.0588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7124 0.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3478 0.0440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9805 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4631 0.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 0.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 2.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0395 3.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0851 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4257 -0.3429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0851 -0.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 3.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0098 4.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -0.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9807 0.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6467 -1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 5.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5878 5.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 -1.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6374 0.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6017 -1.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9126 -1.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8227 -2.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1335 -2.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0886 -3.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3095 -4.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5304 -5.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3342 -4.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2847 -4.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4032 -1.2050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 1.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2565 0.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0294 1.3061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7671 0.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5631 1.4350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8728 1.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -0.0114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 0.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4668 1.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6487 1.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 2.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 2.2709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1109 3.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4205 3.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 2.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5397 3.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5923 4.1003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 1.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5524 0.9574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7408 1.2892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 0.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1457 4.8691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7448 5.7303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5342 5.8370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9888 5.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 -1.9347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1005 -1.3147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 -0.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3010 -1.4353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0174 0.3872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0569 -1.1936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3204 -1.8135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4148 -2.7735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.3935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9257 -5.3563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6673 -5.8241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1351 -5.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1972 -3.8604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7296 -4.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4712 -5.0697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4217 -4.6278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8894 -3.8862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1477 -3.4185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 21 1 0 0 0 0 8 2 1 1 0 0 0 2 30 1 0 0 0 0 20 3 1 6 0 0 0 3 70 1 0 0 0 0 4 25 1 0 0 0 0 4 74 1 0 0 0 0 5 10 1 0 0 0 0 5 18 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 1 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 1 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 41 1 1 0 0 0 10 17 1 0 0 0 0 10 42 1 6 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 20 1 0 0 0 0 12 45 1 6 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 18 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 24 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 21 25 2 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 23 58 1 0 0 0 0 24 31 2 0 0 0 0 24 59 1 0 0 0 0 25 31 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 32 2 0 0 0 0 27 33 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 71 1 0 0 0 0 32 34 1 0 0 0 0 32 72 1 0 0 0 0 33 35 2 0 0 0 0 33 73 1 0 0 0 0 34 36 2 0 0 0 0 34 75 1 0 0 0 0 35 36 1 0 0 0 0 35 76 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 40 83 1 0 0 0 0 40 84 1 0 0 0 0 40 85 1 0 0 0 0 M END > 56681954 > 1 > 1020 > 5 > 2 > 6 > AAADcfB+OAAAAAAAAAAAAAAAGAAAASAAAAA8YMGDAAAWAEjxQAAAHgAACAAAD3zhmAYyBoMABgCAAiBCAAACCAAgIAAIiAAOiIgNJiKGsRuGeCOlwBGLuAfw8P8P4AABAAAYQADQAAaAADSAAAAAAAAAAA== > (1S,2S,6R,14R,15R,16R)-16-[(1R)-1-(4-tert-butylphenyl)-1-hydroxy-ethyl]-5-(cyclopropylmethyl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol > (1S,2S,6R,14R,15R,16R)-16-[(1R)-1-(4-tert-butylphenyl)-1-hydroxyethyl]-5-(cyclopropylmethyl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]eicosa-8(20),9,11-trien-11-ol > (1S,2S,6R,14R,15R,16R)-16-[(1R)-1-(4-tert-butylphenyl)-1-hydroxyethyl]-5-(cyclopropylmethyl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol > (1S,2S,6R,14R,15R,16R)-16-[(1R)-1-(4-tert-butylphenyl)-1-hydroxyethyl]-5-(cyclopropylmethyl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol > (1S,2S,6R,14R,15R,16R)-16-[(1R)-1-(4-tert-butylphenyl)-1-oxidanyl-ethyl]-5-(cyclopropylmethyl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol > (1S,2S,6R,14R,15R,16R)-16-[(1R)-1-(4-tert-butylphenyl)-1-hydroxy-ethyl]-5-(cyclopropylmethyl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]eicosa-8(20),9,11-trien-11-ol > InChI=1S/C35H45NO4/c1-31(2,3)23-9-11-24(12-10-23)32(4,38)26-19-33-14-15-35(26,39-5)30-34(33)16-17-36(20-21-6-7-21)27(33)18-22-8-13-25(37)29(40-30)28(22)34/h8-13,21,26-27,30,37-38H,6-7,14-20H2,1-5H3/t26-,27-,30-,32+,33-,34+,35-/m1/s1 > NBPPCOOERKVTBL-PNIVXHRMSA-N > 6.4 > 543.33485892 > C35H45NO4 > 543.7 > CC(C)(C)C1=CC=C(C=C1)C(C)(C2CC34CCC2(C5C36CCN(C4CC7=C6C(=C(C=C7)O)O5)CC8CC8)OC)O > C[C@@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C8=CC=C(C=C8)C(C)(C)C)O > 62.2 > 543.33485892 > 0 > 40 > 7 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 42 6 12 45 6 16 19 8 16 21 8 19 24 8 8 2 5 21 25 8 24 31 8 25 31 8 27 32 8 27 33 8 20 3 6 32 34 8 33 35 8 34 36 8 35 36 8 6 11 5 7 15 5 9 41 5 $$$$