16155076 -OEChem-05062421092D 115151 0 1 0 0 0 0 0999 V2000 5.3291 0.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1019 -2.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4436 -0.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4253 -2.9078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 1.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9278 0.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6314 -0.5102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7533 -0.7380 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8873 -0.2380 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8870 -1.2384 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6194 -0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7373 -1.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9934 -0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8873 0.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1162 0.0572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5294 -0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3946 -1.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7391 0.8395 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6194 0.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7533 1.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5294 1.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6353 -2.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5374 -1.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9934 1.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4017 -0.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1381 -2.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3106 -1.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3495 -2.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7373 2.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5508 -2.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2317 1.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 0.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5374 2.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1404 -3.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7492 2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6756 0.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3511 -1.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6353 2.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5683 2.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1356 -3.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6676 -0.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5956 -2.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5494 -2.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5337 -1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5513 1.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 2.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7876 0.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3581 3.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3368 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -4.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1566 -3.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1929 -2.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0989 -3.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9033 2.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3537 4.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0364 -4.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9409 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3914 1.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0759 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0999 -3.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 3.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 4.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0761 -4.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0805 -3.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1611 4.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 2.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0804 -4.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3534 4.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 1.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6746 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 1.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9289 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6826 1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8147 -1.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2123 1.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3906 2.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1359 -0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0126 1.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3965 2.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2114 1.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7413 3.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1349 -0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3633 2.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1922 1.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6726 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7277 3.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3379 2.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3315 2.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3837 3.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1075 3.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1898 3.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4439 2.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2014 1.2232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2495 -2.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2566 -1.3368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3798 -1.3297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9263 1.8379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7790 2.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8025 -0.9653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4068 1.1112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5448 1.7664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3472 3.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4209 -1.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9749 2.6283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7964 2.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7704 1.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2920 0.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9451 3.8789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2628 3.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8322 3.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5747 3.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1147 4.4205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 76 1 0 0 0 0 2 27 1 0 0 0 0 2 77 1 0 0 0 0 3 26 2 0 0 0 0 4 27 2 0 0 0 0 5 75 1 0 0 0 0 5 87 1 0 0 0 0 6 75 2 0 0 0 0 7 37 1 0 0 0 0 7 43 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 16 1 0 0 0 0 11 19 2 0 0 0 0 12 17 1 0 0 0 0 12 22 2 0 0 0 0 13 17 1 0 0 0 0 13 25 2 0 0 0 0 14 20 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 15 43 1 0 0 0 0 16 23 2 0 0 0 0 17 29 2 0 0 0 0 18 28 1 0 0 0 0 18 32 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 30 1 0 0 0 0 21 34 2 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 31 1 0 0 0 0 24 33 1 0 0 0 0 24 36 2 0 0 0 0 25 33 1 0 0 0 0 25 38 1 0 0 0 0 28 31 1 0 0 0 0 28 45 2 0 0 0 0 29 40 1 0 0 0 0 29 44 1 0 0 0 0 30 36 1 0 0 0 0 30 39 2 0 0 0 0 31 42 2 0 0 0 0 32 41 1 0 0 0 0 32 46 2 0 0 0 0 33 47 2 0 0 0 0 34 39 1 0 0 0 0 34 41 1 0 0 0 0 35 40 2 0 0 0 0 35 42 1 0 0 0 0 36 48 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 44 2 0 0 0 0 38 49 1 0 0 0 0 39 50 1 0 0 0 0 40 52 1 0 0 0 0 41 51 2 0 0 0 0 42 53 1 0 0 0 0 43 75 1 0 0 0 0 44 54 1 0 0 0 0 45 46 1 0 0 0 0 45 55 1 0 0 0 0 46 59 1 0 0 0 0 47 49 1 0 0 0 0 47 56 1 0 0 0 0 48 56 2 0 0 0 0 48 57 1 0 0 0 0 49 61 2 0 0 0 0 50 51 1 0 0 0 0 50 57 2 0 0 0 0 51 60 1 0 0 0 0 52 54 2 0 0 0 0 52 58 1 0 0 0 0 53 55 2 0 0 0 0 53 58 1 0 0 0 0 54 62 1 0 0 0 0 55 63 1 0 0 0 0 56 64 1 0 0 0 0 57 65 1 0 0 0 0 58 66 2 0 0 0 0 59 60 2 0 0 0 0 59 67 1 0 0 0 0 60 68 1 0 0 0 0 61 62 1 0 0 0 0 61 69 1 0 0 0 0 62 70 2 0 0 0 0 63 66 1 0 0 0 0 63 67 2 0 0 0 0 64 65 2 0 0 0 0 64 69 1 0 0 0 0 65 68 1 0 0 0 0 66 70 1 0 0 0 0 67 71 1 0 0 0 0 68 71 2 0 0 0 0 69 72 2 0 0 0 0 70 72 1 0 0 0 0 71 72 1 0 0 0 0 73 78 2 0 0 0 0 73 80 1 0 0 0 0 74 79 2 0 0 0 0 74 81 1 0 0 0 0 76 82 1 0 0 0 0 76 95 1 0 0 0 0 76 96 1 0 0 0 0 77 97 1 0 0 0 0 77 98 1 0 0 0 0 77 99 1 0 0 0 0 78 83 1 0 0 0 0 78100 1 0 0 0 0 79 84 1 0 0 0 0 79101 1 0 0 0 0 80 85 2 0 0 0 0 80102 1 0 0 0 0 81 86 2 0 0 0 0 81103 1 0 0 0 0 82 90 1 0 0 0 0 82 92 2 0 0 0 0 83 88 2 0 0 0 0 83104 1 0 0 0 0 84 89 2 0 0 0 0 84105 1 0 0 0 0 85 88 1 0 0 0 0 85106 1 0 0 0 0 86 89 1 0 0 0 0 86107 1 0 0 0 0 87 91 1 0 0 0 0 87108 1 0 0 0 0 87109 1 0 0 0 0 88110 1 0 0 0 0 89111 1 0 0 0 0 90 91 2 0 0 0 0 90112 1 0 0 0 0 91 93 1 0 0 0 0 92 94 1 0 0 0 0 92113 1 0 0 0 0 93 94 2 0 0 0 0 93114 1 0 0 0 0 94115 1 0 0 0 0 M END > 16155076 > 1 > 4530 > 7 > 0 > 4 > AAADceB+OAAAAAAAAAAAAAAAGAAAAYMGDBgwYMGDBAAAAEABVAAAHgAAAAAADoihmAIyCMIABACoAyDyDASCAAAgAAAIiAEgDIgIJjaIsRmCMABl4AEIqAeY+fmfwAACAAAQAACAAAQAACAAAQAACAAAAA== > InChI=1S/C87H21NO6/c1-92-80(90)86-81(91)94-17-19-10-8-9-18(15-19)16-93-79(89)78-82-70-60-52-43-36-27-25-23-22-24-26-28(23)40-41-35(25)37(36)51-55(52)66-69(70)77-76(82)67-64-53-44-32(34-33(26)45-47(40)59-57(41)58(51)73(66)84(86)74(59)68-56(45)46(34)54(53)65(67)75(68)85(77,84)86)30(24)39-38-29(22)31(27)42-48(38)62-63(49(39)44)72(64)83(82,71(62)61(60)50(42)43)87(88-78,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-15H,16-17H2,1H3 > JSEHSYLJBBIPRI-UHFFFAOYSA-N > 17.1 > 1175.13688739 > C87H21NO6 > 1176.1 > COC(=O)C12C(=O)OCC3=CC=CC(=C3)COC(=O)C4=NC(C56C47C8=C9C3=C4C%10=C%11C%12=C%13C%14=C%10C%10=C3C3=C9C5=C5C9=C3C3=C%15C9=C9C%16=C%17C%18=C%19C%20=C%16C%15=C(C%14=C3%10)C%20=C%13C3=C%19C%10=C%13C(=C3%12)C11C%11=C4C8=C3C12C%13=C1C(=C%18%10)C2=C(C1=C73)C6=C5C9=C%172)(C1=CC=CC=C1)C1=CC=CC=C1 > COC(=O)C12C(=O)OCC3=CC=CC(=C3)COC(=O)C4=NC(C56C47C8=C9C3=C4C%10=C%11C%12=C%13C%14=C%10C%10=C3C3=C9C5=C5C9=C3C3=C%15C9=C9C%16=C%17C%18=C%19C%20=C%16C%15=C(C%14=C3%10)C%20=C%13C3=C%19C%10=C%13C(=C3%12)C11C%11=C4C8=C3C12C%13=C1C(=C%18%10)C2=C(C1=C73)C6=C5C9=C%172)(C1=CC=CC=C1)C1=CC=CC=C1 > 91.3 > 1175.13688739 > 0 > 94 > 0 > 5 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 26 3 11 16 8 11 19 8 12 17 8 12 22 8 13 17 8 13 25 8 14 20 8 14 24 8 15 21 3 16 23 8 17 29 8 18 32 3 19 20 8 19 21 8 20 30 8 21 34 8 22 23 8 22 35 8 23 31 8 24 33 8 24 36 8 25 33 8 25 38 8 28 31 8 28 45 8 29 40 8 29 44 8 30 36 8 30 39 8 31 42 8 32 41 8 32 46 8 33 47 8 34 39 8 34 41 8 35 40 8 35 42 8 36 48 8 38 44 8 38 49 8 39 50 8 40 52 8 41 51 8 42 53 8 44 54 8 45 46 8 45 55 8 46 59 8 47 49 8 47 56 8 48 56 8 48 57 8 49 61 8 50 51 8 50 57 8 51 60 8 52 54 8 52 58 8 53 55 8 53 58 8 54 62 8 55 63 8 56 64 8 57 65 8 58 66 8 59 60 8 59 67 8 60 68 8 61 62 8 61 69 8 62 70 8 63 66 8 63 67 8 64 65 8 64 69 8 65 68 8 66 70 8 67 71 8 68 71 8 69 72 8 70 72 8 71 72 8 73 78 8 73 80 8 74 79 8 74 81 8 78 83 8 79 84 8 8 12 3 80 85 8 81 86 8 82 90 8 82 92 8 83 88 8 84 89 8 85 88 8 86 89 8 9 14 3 90 91 8 91 93 8 92 94 8 93 94 8 $$$$