54756989 -OEChem-04232401332D 78 84 0 1 0 0 0 0 0999 V2000 5.0395 -2.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4805 -2.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4325 -2.6268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 2.0021 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0154 0.3305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5328 -0.5054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9805 -1.3412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0154 -1.3412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7124 -0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5328 1.1663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3478 -0.8485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9805 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4631 -0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 -0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0395 2.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8901 -1.7376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0851 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0851 -1.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 2.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6863 -2.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0098 3.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 -1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -1.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 4.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5878 4.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5604 -3.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 -2.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6374 -0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4345 -4.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5524 -3.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6384 -3.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6385 -1.9193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2565 -0.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0294 0.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 0.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5898 -0.4639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5631 0.5425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8728 0.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -0.9039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -0.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4668 0.5402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6487 0.4927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 1.7769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 1.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1109 2.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4205 2.2095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 1.8251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5397 2.4777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 -2.5265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9701 -1.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5923 3.2078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2848 -0.7287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4498 -0.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7172 -1.8312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 0.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1457 3.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7448 4.8378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5342 4.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9888 4.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8132 -2.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 -2.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1005 -2.2072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 -1.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0174 -0.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8194 -4.2488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3565 -4.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0496 -4.4049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4744 -4.0758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1675 -3.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6305 -2.8457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3985 -3.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0666 -3.9616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8783 -4.2934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2072 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 31 1 0 0 0 0 19 3 1 1 0 0 0 3 64 1 0 0 0 0 4 27 1 0 0 0 0 4 78 1 0 0 0 0 5 11 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 1 0 0 0 6 11 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 12 1 0 0 0 0 8 14 1 0 0 0 0 9 36 1 1 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 17 1 0 0 0 0 11 39 1 6 0 0 0 12 19 1 0 0 0 0 12 40 1 6 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 18 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 23 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 2 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 30 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 32 2 0 0 0 0 26 59 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 33 1 0 0 0 0 30 34 1 0 0 0 0 30 35 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 M END > 54756989 > 1 > 884 > 5 > 2 > 6 > AAADcfB6OAAAAAAAAAAAAAAAGAAAASAAAAA8YMGDAAAWAEjxAAAAHgAACAAAD3zhmAYyBoMABgCAAiBCAAACCAAgIAAIiAAOiIgNJiKGsRuGeCOlwBGLuAfw8P8PoAABAAAYQADQAAaAADSAAAAAAAAAAA== > (1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(1R)-1-hydroxy-1,3,3-trimethyl-butyl]-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-[(2R)-2-hydroxy-4,4-dimethylpentan-2-yl]-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)-5-(cyclopropylmethyl)-16-[(2R)-2-hydroxy-4,4-dimethylpentan-2-yl]-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-[(2R)-2-hydroxy-4,4-dimethylpentan-2-yl]-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-[(2R)-4,4-dimethyl-2-oxidanyl-pentan-2-yl]-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-1,3,3-trimethyl-butyl]-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/C30H43NO4/c1-26(2,3)17-27(4,33)21-15-28-10-11-30(21,34-5)25-29(28)12-13-31(16-18-6-7-18)22(28)14-19-8-9-20(32)24(35-25)23(19)29/h8-9,18,21-22,25,32-33H,6-7,10-17H2,1-5H3/t21-,22-,25-,27-,28-,29+,30-/m1/s1 > RIMTXZIUOVDSSA-JLXZXSBASA-N > 5.3 > 481.31920885 > C30H43NO4 > 481.7 > CC(C)(C)CC(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O > C[C@@](CC(C)(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)O > 62.2 > 481.31920885 > 0 > 35 > 7 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 39 6 12 40 6 16 20 8 16 21 8 8 2 5 20 26 8 21 27 8 26 32 8 27 32 8 19 3 5 6 10 5 7 15 5 9 36 5 $$$$