71625029 -OEChem-03292407462D 73 80 0 1 0 0 0 0 0999 V2000 5.0395 -1.6295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4805 -1.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7507 -1.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -1.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 2.3793 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0154 0.7077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5328 -0.1282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0154 -0.9640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9805 -0.9640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5328 1.5435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7124 0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3478 -0.4713 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9805 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4631 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 1.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0395 2.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0851 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0851 -0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7427 -1.2674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9220 2.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0098 3.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1296 -2.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 4.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5878 4.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6374 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 -1.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5245 -2.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5326 -2.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9115 -3.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9275 -3.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3065 -4.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3145 -4.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5287 -1.6415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 1.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2565 -0.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0294 0.7908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6262 -0.0221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5631 0.9197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8728 1.3182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -0.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 0.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4668 0.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6487 0.8699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 2.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 1.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1109 3.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4205 2.5867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5028 -0.6957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 2.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5397 2.8549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5923 3.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 1.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5506 -2.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 -1.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1457 4.3538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7448 5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5342 5.3217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9888 4.5440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0174 -0.1282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 -2.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1005 -1.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 -1.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3755 -1.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2926 -2.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5266 -3.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 -3.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5464 -5.2758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9394 -5.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 9 2 1 1 0 0 0 2 30 1 0 0 0 0 21 3 1 1 0 0 0 3 67 1 0 0 0 0 4 25 1 0 0 0 0 4 68 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 8 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 37 1 1 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 17 1 0 0 0 0 10 38 1 6 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 21 1 0 0 0 0 12 41 1 6 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 18 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 21 26 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 23 55 1 0 0 0 0 24 29 2 0 0 0 0 24 56 1 0 0 0 0 25 29 1 0 0 0 0 26 31 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 69 1 0 0 0 0 33 35 2 0 0 0 0 33 70 1 0 0 0 0 34 36 2 0 0 0 0 34 71 1 0 0 0 0 35 36 1 0 0 0 0 35 72 1 0 0 0 0 36 73 1 0 0 0 0 M END > 71625029 > 1 > 873 > 5 > 2 > 6 > AAADcfB6OAAAAAAAAAAAAAAAGAAAASAAAAA8YMGDAAAWAEjxQAAAHgAACAAAD3zhmAYyBoMABgCAAiBCAAACCAAgIAAIiAAOiIgNNiKGsRuGeCOlwBGLuAfw8P8PoAABAAAYQADQAAaAADSAAAAAAAAAAA== > (1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(1R)-1-hydroxy-2-phenyl-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)-5-(cyclopropylmethyl)-16-[(1R)-1-hydroxy-2-phenylethyl]-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-[(1R)-1-hydroxy-2-phenylethyl]-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-2-phenylethyl]-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)-15-methoxy-16-[(1R)-1-oxidanyl-2-phenyl-ethyl]-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-2-phenyl-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/C31H37NO4/c1-35-31-12-11-29(17-22(31)24(34)15-19-5-3-2-4-6-19)25-16-21-9-10-23(33)27-26(21)30(29,28(31)36-27)13-14-32(25)18-20-7-8-20/h2-6,9-10,20,22,24-25,28,33-34H,7-8,11-18H2,1H3/t22-,24-,25-,28-,29-,30+,31-/m1/s1 > GEEWMWWZQHKOGH-FILMBXGFSA-N > 5 > 487.27225866 > C31H37NO4 > 487.6 > COC12CCC3(CC1C(CC4=CC=CC=C4)O)C5CC6=C7C3(C2OC7=C(C=C6)O)CCN5CC8CC8 > CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](CC4=CC=CC=C4)O)[C@H]5CC6=C7[C@]3([C@H]2OC7=C(C=C6)O)CCN5CC8CC8 > 62.2 > 487.27225866 > 0 > 36 > 7 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 38 6 12 41 6 16 19 8 16 20 8 19 24 8 9 2 5 20 25 8 24 29 8 25 29 8 21 3 5 31 32 8 31 33 8 32 34 8 33 35 8 34 36 8 35 36 8 6 11 5 7 15 5 8 37 5 $$$$