16149827 -OEChem-06191301212D 107142 0 1 0 0 0 0 0999 V2000 11.6500 3.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -3.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8115 2.5346 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4528 -0.4093 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5868 0.0907 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3502 3.4219 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2127 1.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4688 2.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3188 0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5868 1.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3188 1.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4528 1.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4688 -1.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6768 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6105 2.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0811 4.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1188 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5708 3.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2127 -0.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6768 1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8550 1.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0657 4.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4569 -1.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0900 0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1188 0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6687 2.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5708 -1.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6687 -1.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6128 2.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6561 4.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8105 2.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6586 -1.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1754 -0.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8880 4.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4185 -0.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0705 4.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6548 -0.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6553 2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1273 -2.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1752 0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3160 -2.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6378 -1.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2061 1.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5833 5.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3028 -1.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8954 2.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1302 0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3888 4.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5660 -2.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9744 -0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3306 -2.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8340 -3.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4691 1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9434 2.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0950 3.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8219 -3.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1072 4.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0996 -4.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9729 -0.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 -2.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8687 -5.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9404 -3.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6499 -1.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -5.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9707 -3.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3483 3.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3928 -2.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0723 -2.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8870 4.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8485 3.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4172 -4.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 -2.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5259 5.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7535 4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 -5.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6725 -4.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0502 5.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5841 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7219 -2.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5571 1.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6248 -1.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5703 -0.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6760 1.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3832 2.2529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9223 -2.4812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2532 -1.7443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0303 0.1164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 -0.5386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0225 4.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3153 4.5026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0773 2.4850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9577 -4.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1514 -2.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1856 6.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1344 -4.6766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3657 6.1749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4083 2.7279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0362 1.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4650 -2.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2286 -2.9611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3606 1.5884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0237 0.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3878 -0.7967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1188 -1.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3534 0.4130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0508 -0.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 75 1 0 0 0 0 1 79 1 0 0 0 0 2 76 1 0 0 0 0 2 80 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 32 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 5 33 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 34 1 0 0 0 0 7 11 1 0 0 0 0 7 17 2 0 0 0 0 8 12 1 0 0 0 0 8 18 2 0 0 0 0 9 11 2 0 0 0 0 9 19 1 0 0 0 0 10 12 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 13 23 1 0 0 0 0 13 27 2 0 0 0 0 14 24 2 0 0 0 0 14 28 1 0 0 0 0 15 21 1 0 0 0 0 15 29 2 0 0 0 0 16 22 1 0 0 0 0 16 30 2 0 0 0 0 17 21 1 0 0 0 0 17 25 1 0 0 0 0 18 22 1 0 0 0 0 18 26 1 0 0 0 0 19 23 2 0 0 0 0 19 25 1 0 0 0 0 20 24 1 0 0 0 0 20 26 2 0 0 0 0 21 35 2 0 0 0 0 22 36 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 37 2 0 0 0 0 26 38 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 28 42 2 0 0 0 0 29 30 1 0 0 0 0 29 43 1 0 0 0 0 30 44 1 0 0 0 0 31 67 1 0 0 0 0 31 84 1 0 0 0 0 31 85 1 0 0 0 0 32 68 1 0 0 0 0 32 86 1 0 0 0 0 32 87 1 0 0 0 0 33 69 1 0 0 0 0 33 88 1 0 0 0 0 33 89 1 0 0 0 0 34 70 1 0 0 0 0 34 90 1 0 0 0 0 34 91 1 0 0 0 0 35 37 1 0 0 0 0 35 47 1 0 0 0 0 36 38 1 0 0 0 0 36 48 1 0 0 0 0 37 45 1 0 0 0 0 38 46 2 0 0 0 0 39 45 1 0 0 0 0 39 49 2 0 0 0 0 40 46 1 0 0 0 0 40 50 2 0 0 0 0 41 49 1 0 0 0 0 41 51 2 0 0 0 0 42 50 1 0 0 0 0 42 51 1 0 0 0 0 43 47 2 0 0 0 0 43 54 1 0 0 0 0 44 48 2 0 0 0 0 44 55 1 0 0 0 0 45 52 2 0 0 0 0 46 53 1 0 0 0 0 47 56 1 0 0 0 0 48 57 1 0 0 0 0 49 58 1 0 0 0 0 50 59 1 0 0 0 0 51 60 1 0 0 0 0 52 56 1 0 0 0 0 52 58 1 0 0 0 0 53 57 1 0 0 0 0 53 59 2 0 0 0 0 54 55 2 0 0 0 0 54 61 1 0 0 0 0 55 62 1 0 0 0 0 56 61 2 0 0 0 0 57 62 2 0 0 0 0 58 63 2 0 0 0 0 59 64 1 0 0 0 0 60 63 1 0 0 0 0 60 64 2 0 0 0 0 61 65 1 0 0 0 0 62 66 1 0 0 0 0 63 65 1 0 0 0 0 64 66 1 0 0 0 0 65 66 2 0 0 0 0 67 70 2 0 0 0 0 67 71 1 0 0 0 0 68 69 2 0 0 0 0 68 72 1 0 0 0 0 69 73 1 0 0 0 0 70 74 1 0 0 0 0 71 75 2 0 0 0 0 71 92 1 0 0 0 0 72 76 2 0 0 0 0 72 93 1 0 0 0 0 73 77 2 0 0 0 0 73 94 1 0 0 0 0 74 78 2 0 0 0 0 74 95 1 0 0 0 0 75 78 1 0 0 0 0 76 77 1 0 0 0 0 77 96 1 0 0 0 0 78 97 1 0 0 0 0 79 81 1 0 0 0 0 79 98 1 0 0 0 0 79 99 1 0 0 0 0 80 82 1 0 0 0 0 80100 1 0 0 0 0 80101 1 0 0 0 0 81 83 1 0 0 0 0 81102 1 0 0 0 0 81103 1 0 0 0 0 82 83 1 0 0 0 0 82104 1 0 0 0 0 82105 1 0 0 0 0 83106 1 0 0 0 0 83107 1 0 0 0 0 M END > 16149827 > 1 > 4780 > 2 > 0 > 0 > AAADceB8MAAAAAAAAAAAAAAAAAAAAYMGDBAwYMGDAAAAAADBVAAAGgAAAAAADgSgmAIwBsAABACAAiBCAAACCAAgIAAIiAAGCIgMJiKEMRqCOCCkwBEIqAeA4PgP4AADAAAQAADAAAYAACAAAQAACAAAAA== > InChI=1S/C81H24O2/c1-2-8-82-20-7-5-17-13-79-72-58-50-39-31-24-22-23-25-30(24)43(50)51-40-32(25)29-34-27(23)36-35-26(22)33-28(31)37-44-52-41(33)46(35)56-57-47(36)42(34)53-45-38(29)49(40)61-65-55(45)67-63(53)71(57)78-12-16-4-6-21(83-9-3-1)11-19(16)15-81(78)76-66(62(52)70(56)78)54(44)64(60(72)48(37)39)74(79)68(76)69(77(67)81)75(65)80(79,14-18(17)10-20)73(61)59(51)58/h4-7,10-11H,1-3,8-9,12-15H2 > SOIOKOKHHJMFTN-UHFFFAOYSA-N > 16.8 > 1028.17763 > C81H24O2 > 1029.05606 > C1CCOC2=CC3=C(CC45C6=C7C8=C9C%10=C%11C8=C8C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%15=C%15C%14=C%14C%12=C%11C%11=C%14C%12=C%15C%14=C%19C%15%19C%18=C%18C%20=C%21C%15(CC%15=C(C%19)C=C(C=C%15)OCC1)C1=C%15C%21=C%19C(=C%21C%10=C%11C(=C%21%15)C%12=C%141)C9=C6C%19=C%20C4(C3)C%18=C%17C1=C%16C%13=C8C7=C51)C=C2 > C1CCOC2=CC3=C(CC45C6=C7C8=C9C%10=C%11C8=C8C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%15=C%15C%14=C%14C%12=C%11C%11=C%14C%12=C%15C%14=C%19C%15%19C%18=C%18C%20=C%21C%15(CC%15=C(C%19)C=C(C=C%15)OCC1)C1=C%15C%21=C%19C(=C%21C%10=C%11C(=C%21%15)C%12=C%141)C9=C6C%19=C%20C4(C3)C%18=C%17C1=C%16C%13=C8C7=C51)C=C2 > 18.5 > 1028.17763 > 0 > 83 > 0 > 4 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 12 8 10 20 8 11 12 8 13 23 8 13 27 8 14 24 8 14 28 8 15 21 8 15 29 8 16 22 8 16 30 8 17 21 8 17 25 8 18 22 8 18 26 8 19 23 8 19 25 8 20 24 8 20 26 8 21 35 8 22 36 8 23 39 8 24 40 8 25 37 8 26 38 8 27 28 8 27 41 8 28 42 8 29 30 8 29 43 8 3 31 3 30 44 8 35 37 8 35 47 8 36 38 8 36 48 8 37 45 8 38 46 8 39 45 8 39 49 8 4 32 3 40 46 8 40 50 8 41 49 8 41 51 8 42 50 8 42 51 8 43 47 8 43 54 8 44 48 8 44 55 8 45 52 8 46 53 8 47 56 8 48 57 8 49 58 8 5 33 3 50 59 8 51 60 8 52 56 8 52 58 8 53 57 8 53 59 8 54 55 8 54 61 8 55 62 8 56 61 8 57 62 8 58 63 8 59 64 8 6 34 3 60 63 8 60 64 8 61 65 8 62 66 8 63 65 8 64 66 8 65 66 8 67 70 8 67 71 8 68 69 8 68 72 8 69 73 8 7 11 8 7 17 8 70 74 8 71 75 8 72 76 8 73 77 8 74 78 8 75 78 8 76 77 8 8 12 8 8 18 8 9 11 8 9 19 8 $$$$