56664973 -OEChem-05122414522D 78 84 0 1 0 0 0 0 0999 V2000 5.0395 -1.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9202 -1.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7551 -2.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 2.0260 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0154 0.3543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5328 -0.4815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9805 -1.3173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0154 -1.3173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3478 -0.8246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7124 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5328 1.1902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9805 0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4631 -0.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 -0.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0514 -1.7797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0395 2.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0851 0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0851 -1.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5927 -2.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 2.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0098 3.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 -1.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -1.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 4.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5878 4.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1339 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6863 -1.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6374 -0.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -3.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5915 -2.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6762 -4.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7294 -1.7784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5592 -0.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2565 -0.3927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0294 0.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 0.8925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5631 0.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8728 0.9649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4668 0.5641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6487 0.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 1.8008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 1.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1109 2.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4205 2.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 1.8490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5397 2.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5923 3.2317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4461 -0.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6111 -1.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8786 -1.8734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 0.8913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 -2.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1457 4.0005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7448 4.8616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5342 4.9684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9888 4.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6275 -3.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5891 -3.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0848 -1.4915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1612 -0.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2877 -0.5416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0174 -0.4815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5837 -3.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8512 -4.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6862 -3.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6214 -3.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2108 -2.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5616 -1.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -4.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3925 -4.9020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2275 -4.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1833 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 18 3 1 6 0 0 0 3 58 1 0 0 0 0 4 27 1 0 0 0 0 4 78 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 36 1 1 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 37 1 6 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 17 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 19 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 22 1 0 0 0 0 18 25 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 26 1 0 0 0 0 21 27 2 0 0 0 0 22 30 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 32 2 0 0 0 0 26 57 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 35 1 0 0 0 0 30 63 1 0 0 0 0 30 64 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 > 56664973 > 1 > 890 > 5 > 2 > 6 > AAADcfB6OAAAAAAAAAAAAAAAGAAAASAAAAA8YMGDAAAWAEjxAAAAHgAACAAAD3zhmAYyBoMABgCAAiBCAAACCAAgIAAIiAAOiIgNJiKGsRuGeCOlwBGLuAfw8P8PoAABAAAYQADQAAaAADSAAAAAAAAAAA== > (1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(1R)-1-hydroxy-1,2,2-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-3,3-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-3,3-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-3,3-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)-3,3-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-1,2,2-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/c1-6-26(2,3)27(4,33)21-16-28-11-12-30(21,34-5)25-29(28)13-14-31(17-18-7-8-18)22(28)15-19-9-10-20(32)24(35-25)23(19)29/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22-,25-,27-,28-,29+,30-/m1/s1 > HBENZIXOGRCSQN-JLXZXSBASA-N > 5.3 > 481.31920885 > C30H43NO4 > 481.7 > CCC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O > CCC(C)(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 > 10 37 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 18 3 6 6 11 5 7 15 5 9 36 5 $$$$