56658044 -OEChem-05042415212D 83 91 0 1 0 0 0 0 0999 V2000 5.0395 -1.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4805 -1.3901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4325 -1.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -1.3901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 2.8192 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0154 1.1476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5328 0.3118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9805 -0.5241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0154 -0.5241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3478 -0.0314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7124 0.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5328 1.9834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9805 1.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4631 0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 1.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8901 -0.9205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5677 1.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0395 2.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0851 1.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0851 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6863 -1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 3.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5604 -2.5177 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0010 -0.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0098 4.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4057 -3.7506 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1200 1.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7699 -3.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1094 -4.7057 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9622 -5.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 5.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5878 5.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 -1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8605 -4.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6374 0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5641 -5.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6385 -1.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5898 0.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2565 0.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0294 1.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 1.6858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5631 1.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8728 1.7582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -0.0868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 0.7103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4668 1.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6487 1.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 2.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 2.1955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1109 3.6086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4205 3.0266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 -1.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9701 -0.9744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5397 3.2949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1630 -2.3719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2848 0.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4498 -0.1790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7172 -1.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5923 4.0249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7516 -3.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 1.6845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3828 -2.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2915 -3.5245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4282 -4.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7680 -2.3310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3946 -4.8947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9471 -5.7638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1457 4.7937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7448 5.6549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5342 5.7617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9888 4.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4577 -4.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0095 -3.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 -2.0101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1005 -1.3901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 -0.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0174 0.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4151 -5.6233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1614 -5.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3901 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 35 1 0 0 0 0 17 3 1 1 0 0 0 3 68 1 0 0 0 0 4 29 1 0 0 0 0 4 83 1 0 0 0 0 5 12 1 0 0 0 0 5 19 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 6 12 1 0 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 10 1 0 0 0 0 8 14 1 0 0 0 0 9 39 1 1 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 40 1 6 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 18 1 0 0 0 0 12 43 1 6 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 19 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 28 1 0 0 0 0 21 29 2 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 26 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 27 1 0 0 0 0 24 30 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 33 1 0 0 0 0 26 34 1 0 0 0 0 26 62 1 0 0 0 0 27 32 1 0 0 0 0 27 36 1 0 0 0 0 27 63 1 0 0 0 0 28 37 2 0 0 0 0 28 64 1 0 0 0 0 29 37 1 0 0 0 0 30 31 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 32 1 0 0 0 0 31 38 1 0 0 0 0 31 67 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 34 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 36 38 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 37 80 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 M END > 56658044 > 1 > 1000 > 5 > 2 > 6 > AAADcfB+OAAAAAAAAAAAAAAAGAAAAaMEAAA8YMGDAAAWAEjxAAAAHgAACAAAD3zhmAYyBoMABgCAAiBCAAACCAAgIAAIiAAOiIgNJiKGsRuGeCOlwBGLuAfw8P8PoAABAAAYQADQAAaAADSAAQAACAAAAA== > (1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(1R)-1-hydroxy-1-methyl-2-norbornan-2-yl-ethyl]-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-[(2R)-1-(2-bicyclo[2.2.1]heptanyl)-2-hydroxypropan-2-yl]-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-[(2R)-1-(2-bicyclo[2.2.1]heptanyl)-2-hydroxypropan-2-yl]-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-[(2R)-1-(2-bicyclo[2.2.1]heptanyl)-2-hydroxypropan-2-yl]-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-[(2R)-1-(2-bicyclo[2.2.1]heptanyl)-2-oxidanyl-propan-2-yl]-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)-5-(cyclopropylmethyl)-16-[(1R)-1-hydroxy-1-methyl-2-(2-norbornyl)ethyl]-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/C33H45NO4/c1-30(36,16-23-14-20-5-6-21(23)13-20)25-17-31-9-10-33(25,37-2)29-32(31)11-12-34(18-19-3-4-19)26(31)15-22-7-8-24(35)28(38-29)27(22)32/h7-8,19-21,23,25-26,29,35-36H,3-6,9-18H2,1-2H3/t20?,21?,23?,25-,26-,29-,30-,31-,32+,33-/m1/s1 > KMMPJTLXSZEWDK-VAZJWBNESA-N > 6.1 > 519.33485892 > C33H45NO4 > 519.7 > CC(CC1CC2CCC1C2)(C3CC45CCC3(C6C47CCN(C5CC8=C7C(=C(C=C8)O)O6)CC9CC9)OC)O > C[C@@](CC1CC2CCC1C2)([C@H]3C[C@@]45CC[C@@]3([C@H]6[C@@]47CCN([C@@H]5CC8=C7C(=C(C=C8)O)O6)CC9CC9)OC)O > 62.2 > 519.33485892 > 0 > 38 > 7 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 40 6 12 43 6 16 20 8 16 21 8 8 2 5 20 28 8 21 29 8 24 22 3 27 36 3 28 37 8 29 37 8 17 3 5 31 38 3 6 11 5 7 15 5 9 39 5 $$$$