53316350 -OEChem-03192401052D 75 79 0 1 0 0 0 0 0999 V2000 5.3068 3.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9922 -0.8218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4350 -0.8995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4421 -2.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8412 -2.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9309 0.2368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 2.7518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1730 0.7518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3070 2.2518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0391 1.2518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0391 2.2518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3070 1.2518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0109 1.0426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1730 -0.2482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8401 0.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0391 3.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9051 2.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 0.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8778 1.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1730 -0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9659 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7429 1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4659 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4659 -1.9554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9659 -1.0893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4149 -1.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 -1.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6098 1.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7412 0.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3436 -2.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4110 -1.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 1.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6064 -0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4732 0.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 2.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7003 1.7858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5760 1.9418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5709 1.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5315 0.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9866 -0.8395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3491 2.7148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5760 3.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7291 3.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2151 2.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4420 3.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5951 3.2887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -0.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9738 1.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2771 2.0153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4801 2.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9358 0.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5555 -0.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8931 -0.7181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 0.5307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3459 -0.0893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 -1.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 -2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5736 -2.5659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6109 2.1581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2037 -0.2695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0465 -2.9788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8878 -2.7317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6407 -1.8904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 -0.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 -1.5086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 -1.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3569 -2.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0286 -1.8693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4651 -1.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0124 1.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6053 -1.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 -3.2522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0096 -0.2744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 14 2 1 6 0 0 0 2 27 1 0 0 0 0 3 15 2 0 0 0 0 25 4 1 6 0 0 0 4 74 1 0 0 0 0 5 27 2 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 6 49 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 1 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 1 0 0 0 9 12 1 0 0 0 0 9 37 1 1 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 38 1 6 0 0 0 11 17 1 1 0 0 0 11 39 1 0 0 0 0 12 18 1 0 0 0 0 12 40 1 6 0 0 0 13 19 1 6 0 0 0 13 41 1 0 0 0 0 14 20 1 0 0 0 0 14 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 21 2 0 0 0 0 18 50 1 0 0 0 0 19 22 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 23 2 0 0 0 0 20 53 1 0 0 0 0 21 24 1 0 0 0 0 21 54 1 0 0 0 0 22 29 2 0 0 0 0 22 30 1 0 0 0 0 23 25 1 0 0 0 0 23 55 1 0 0 0 0 24 26 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 28 1 0 0 0 0 25 31 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 1 0 0 0 26 58 1 0 0 0 0 27 33 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 34 1 0 0 0 0 29 61 1 0 0 0 0 30 35 2 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 32 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 36 2 0 0 0 0 34 72 1 0 0 0 0 35 36 1 0 0 0 0 35 73 1 0 0 0 0 36 75 1 0 0 0 0 M END > 53316350 > 1 > 940 > 5 > 2 > 4 > AAADcfB6OAAAAAAAAAAAAAAAEgAAAWAAAAAwYAAABIAAAFgBAAAAHgAQCAAAD3zhmAYyCILABgCIAiHSGAACAAAgAAAIiIEIAIgIJDaAsRGGcAAm9gCIuAf+/P/PgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > [(1R,2R,3Z,5R,7S,9Z,11R,12S,14R,15S,16R,17S)-17-benzyl-5-hydroxy-5,7,14,15-tetramethyl-19-oxo-13-oxa-18-azatetracyclo[9.8.0.01,16.012,14]nonadeca-3,9-dien-2-yl] acetate > acetic acid [(1R,2R,3Z,5R,7S,9Z,11R,12S,14R,15S,16R,17S)-5-hydroxy-5,7,14,15-tetramethyl-19-oxo-17-(phenylmethyl)-13-oxa-18-azatetracyclo[9.8.0.01,16.012,14]nonadeca-3,9-dien-2-yl] ester > [(1R,2R,3Z,5R,7S,9Z,11R,12S,14R,15S,16R,17S)-17-benzyl-5-hydroxy-5,7,14,15-tetramethyl-19-oxo-13-oxa-18-azatetracyclo[9.8.0.01,16.012,14]nonadeca-3,9-dien-2-yl] acetate > [(1R,2R,3Z,5R,7S,9Z,11R,12S,14R,15S,16R,17S)-17-benzyl-5-hydroxy-5,7,14,15-tetramethyl-19-oxo-13-oxa-18-azatetracyclo[9.8.0.01,16.012,14]nonadeca-3,9-dien-2-yl] acetate > [(1R,2R,3Z,5R,7S,9Z,11R,12S,14R,15S,16R,17S)-5,7,14,15-tetramethyl-5-oxidanyl-19-oxidanylidene-17-(phenylmethyl)-13-oxa-18-azatetracyclo[9.8.0.01,16.012,14]nonadeca-3,9-dien-2-yl] ethanoate > acetic acid [(1R,2R,3Z,5R,7S,9Z,11R,12S,14R,15S,16R,17S)-17-benzyl-5-hydroxy-19-keto-5,7,14,15-tetramethyl-13-oxa-18-azatetracyclo[9.8.0.01,16.012,14]nonadeca-3,9-dien-2-yl] ester > InChI=1S/C30H39NO5/c1-18-10-9-13-22-26-29(5,36-26)19(2)25-23(16-21-11-7-6-8-12-21)31-27(33)30(22,25)24(35-20(3)32)14-15-28(4,34)17-18/h6-9,11-15,18-19,22-26,34H,10,16-17H2,1-5H3,(H,31,33)/b13-9-,15-14-/t18-,19-,22-,23-,24+,25-,26-,28-,29+,30+/m0/s1 > QHZKOXCMCJMHJE-ILIZJMQPSA-N > 3.9 > 493.28282334 > C30H39NO5 > 493.6 > CC1CC=CC2C3C(O3)(C(C4C2(C(C=CC(C1)(C)O)OC(=O)C)C(=O)NC4CC5=CC=CC=C5)C)C > C[C@H]1C/C=C\[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2([C@@H](/C=C\[C@](C1)(C)O)OC(=O)C)C(=O)N[C@H]4CC5=CC=CC=C5)C)C > 88.2 > 493.28282334 > 0 > 36 > 10 > 0 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 10 38 6 11 17 5 12 40 6 13 19 6 14 2 6 22 29 8 22 30 8 26 32 5 29 34 8 30 35 8 34 36 8 35 36 8 25 4 6 7 16 5 8 15 5 9 37 5 $$$$