71625028 -OEChem-04192417312D 82 89 0 1 0 0 0 0 0999 V2000 4.4195 -1.6295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8605 -1.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5096 -2.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3954 2.3793 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3954 0.7076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9128 -0.1282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3954 -0.9640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3605 -0.9640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9128 1.5435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0924 0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7278 -0.4714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3605 0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8431 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4303 0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9477 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9477 1.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4195 2.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4651 0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1227 -1.2675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4651 -0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3020 2.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3898 3.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1307 -1.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9640 4.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9678 4.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0174 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8605 -1.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5256 -1.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -2.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3074 -3.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9045 -2.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6943 -4.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2915 -3.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6864 -4.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0185 -1.5421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7090 1.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6365 -0.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4094 0.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0062 -0.0221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9431 0.9197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2528 1.3182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3180 -0.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3180 0.2703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8468 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0287 0.8698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0554 2.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3651 1.7555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4909 3.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8005 2.5866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7475 -1.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4620 2.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9197 2.8549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9723 3.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3144 -0.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5794 -0.8578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5257 4.3538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1248 5.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9142 5.3217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3688 4.5440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3974 -0.1282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8605 -2.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 -1.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8605 -1.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1248 -2.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1046 -1.4825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.2732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2974 -2.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8864 -3.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 -3.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5092 -2.8488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8746 -2.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0896 -4.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7242 -5.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 -4.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8128 -3.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5027 -5.2962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2376 -4.9878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 21 1 0 0 0 0 9 2 1 1 0 0 0 2 30 1 0 0 0 0 20 3 1 6 0 0 0 3 68 1 0 0 0 0 4 26 1 0 0 0 0 4 72 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 38 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 39 1 6 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 20 1 0 0 0 0 12 42 1 6 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 18 1 0 0 0 0 15 47 1 0 0 0 0 15 48 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 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 25 1 0 0 0 0 20 24 1 0 0 0 0 20 53 1 0 0 0 0 21 26 2 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 23 56 1 0 0 0 0 24 31 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 29 2 0 0 0 0 25 59 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 71 1 0 0 0 0 33 35 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 34 36 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 35 37 1 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 36 37 1 0 0 0 0 36 79 1 0 0 0 0 36 80 1 0 0 0 0 37 81 1 0 0 0 0 37 82 1 0 0 0 0 M END > 71625028 > 1 > 888 > 5 > 2 > 7 > AAADcfB+OAAAAAAAAAAAAAAAGAAAASAAAAA8YMGDAAAWAEjxAAAAHgAACAAAD3zhmAYyBoMABgCAAiBCAAACCAAgIAAIiAAOiIgNNiKGsRuGeCOlwBGLuAfw8P8PoAABAAAYQADQAAaAADSAAAAAAAAAAA== > (1S,2S,6R,14R,15R,16R)-16-[(1R)-3-cyclohexyl-1-hydroxy-propyl]-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)-3-cyclohexyl-1-hydroxypropyl]-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)-3-cyclohexyl-1-hydroxypropyl]-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)-3-cyclohexyl-1-hydroxypropyl]-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)-3-cyclohexyl-1-oxidanyl-propyl]-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)-3-cyclohexyl-1-hydroxy-propyl]-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/C32H45NO4/c1-36-32-14-13-30(18-23(32)24(34)11-9-20-5-3-2-4-6-20)26-17-22-10-12-25(35)28-27(22)31(30,29(32)37-28)15-16-33(26)19-21-7-8-21/h10,12,20-21,23-24,26,29,34-35H,2-9,11,13-19H2,1H3/t23-,24-,26-,29-,30-,31+,32-/m1/s1 > NJGRAUIMWPFJGV-SSJILJQQSA-N > 6.5 > 507.33485892 > C32H45NO4 > 507.7 > COC12CCC3(CC1C(CCC4CCCCC4)O)C5CC6=C7C3(C2OC7=C(C=C6)O)CCN5CC8CC8 > CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](CCC4CCCCC4)O)[C@H]5CC6=C7[C@]3([C@H]2OC7=C(C=C6)O)CCN5CC8CC8 > 62.2 > 507.33485892 > 0 > 37 > 7 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 39 6 12 42 6 16 19 8 16 21 8 19 25 8 9 2 5 21 26 8 25 29 8 26 29 8 20 3 6 6 11 5 7 15 5 8 38 5 $$$$