16155631 -OEChem-05191310512D 113148 0 1 0 0 0 0 0999 V2000 4.8524 -2.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9059 1.2537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5774 1.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 -1.1909 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3526 -0.6909 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6215 2.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4647 2.2143 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3524 -1.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9786 0.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 1.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0847 -0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3526 0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0847 0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 -2.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 -1.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3764 2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 3.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8847 0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9786 -1.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0157 3.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6209 1.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8316 3.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3673 -1.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2228 -2.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8558 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8847 -0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 1.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 -2.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 -2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8192 2.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8011 4.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9080 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8524 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1844 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8364 3.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4207 -1.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4212 2.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4010 -3.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 -0.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6139 -3.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4037 -2.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9720 0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 5.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0687 -2.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 1.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8961 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0100 4.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6182 -4.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7403 -1.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6352 -3.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8983 4.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9498 5.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2932 3.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8572 -5.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 0.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5141 -0.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5438 -4.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8731 3.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8548 -4.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8845 -2.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6818 -3.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7984 -4.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8109 -4.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8569 -3.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2777 -2.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3777 4.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8878 -0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3493 0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3707 4.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5578 0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3842 4.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5609 1.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3472 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7947 -0.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 3.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5278 3.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3732 2.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8966 2.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7906 -0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2380 -1.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2360 -1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6350 3.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5135 2.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -1.8011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6096 -0.8857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5642 0.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1624 -3.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8685 4.0631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9385 3.3233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9142 -1.0669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9306 -0.4513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8450 4.6722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2098 3.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2698 -0.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4321 0.1821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6781 4.9111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4083 3.7538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9904 1.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1694 0.9442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6911 0.8090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1760 -0.4350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5298 2.9051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1141 4.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8006 1.9900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3541 3.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4093 -0.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8942 -1.8871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5108 -1.9911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 2 0 0 0 0 2 35 2 0 0 0 0 2 73 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 23 1 0 0 0 0 7 35 1 0 0 0 0 8 26 1 0 0 0 0 8 36 1 0 0 0 0 9 13 1 0 0 0 0 9 19 2 0 0 0 0 10 14 1 0 0 0 0 10 20 2 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 15 27 2 0 0 0 0 15 31 1 0 0 0 0 16 28 1 0 0 0 0 16 32 2 0 0 0 0 17 24 1 0 0 0 0 17 33 2 0 0 0 0 18 25 1 0 0 0 0 18 34 2 0 0 0 0 19 24 1 0 0 0 0 19 29 1 0 0 0 0 20 25 1 0 0 0 0 20 30 1 0 0 0 0 21 27 1 0 0 0 0 21 29 2 0 0 0 0 22 28 2 0 0 0 0 22 30 1 0 0 0 0 23 56 1 0 0 0 0 23 87 1 0 0 0 0 23 88 1 0 0 0 0 24 37 2 0 0 0 0 25 38 2 0 0 0 0 26 59 1 0 0 0 0 26 89 1 0 0 0 0 26 90 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 29 39 1 0 0 0 0 30 40 2 0 0 0 0 31 32 1 0 0 0 0 31 43 2 0 0 0 0 32 44 1 0 0 0 0 33 34 1 0 0 0 0 33 45 1 0 0 0 0 34 46 1 0 0 0 0 35 91 1 0 0 0 0 36 92 1 0 0 0 0 37 39 1 0 0 0 0 37 49 1 0 0 0 0 38 40 1 0 0 0 0 38 50 1 0 0 0 0 39 47 2 0 0 0 0 40 48 1 0 0 0 0 41 47 1 0 0 0 0 41 51 2 0 0 0 0 42 48 1 0 0 0 0 42 52 2 0 0 0 0 43 51 1 0 0 0 0 43 53 1 0 0 0 0 44 52 1 0 0 0 0 44 53 2 0 0 0 0 45 49 2 0 0 0 0 45 54 1 0 0 0 0 46 50 2 0 0 0 0 46 55 1 0 0 0 0 47 57 1 0 0 0 0 48 58 2 0 0 0 0 49 60 1 0 0 0 0 50 61 1 0 0 0 0 51 62 1 0 0 0 0 52 63 1 0 0 0 0 53 64 1 0 0 0 0 54 55 2 0 0 0 0 54 65 1 0 0 0 0 55 66 1 0 0 0 0 56 71 1 0 0 0 0 56 93 1 0 0 0 0 56 94 1 0 0 0 0 57 60 1 0 0 0 0 57 62 2 0 0 0 0 58 61 1 0 0 0 0 58 63 1 0 0 0 0 59 72 1 0 0 0 0 59 95 1 0 0 0 0 59 96 1 0 0 0 0 60 65 2 0 0 0 0 61 66 2 0 0 0 0 62 67 1 0 0 0 0 63 68 2 0 0 0 0 64 67 2 0 0 0 0 64 68 1 0 0 0 0 65 69 1 0 0 0 0 66 70 1 0 0 0 0 67 69 1 0 0 0 0 68 70 1 0 0 0 0 69 70 2 0 0 0 0 71 74 1 0 0 0 0 71 97 1 0 0 0 0 71 98 1 0 0 0 0 72 75 1 0 0 0 0 72 99 1 0 0 0 0 72100 1 0 0 0 0 73 78 2 0 0 0 0 73 79 1 0 0 0 0 74 76 1 0 0 0 0 74101 1 0 0 0 0 74102 1 0 0 0 0 75 77 1 0 0 0 0 75103 1 0 0 0 0 75104 1 0 0 0 0 76 80 2 0 0 0 0 76 81 1 0 0 0 0 77 82 2 0 0 0 0 77 83 1 0 0 0 0 78 84 1 0 0 0 0 78105 1 0 0 0 0 79 85 2 0 0 0 0 79106 1 0 0 0 0 80 82 1 0 0 0 0 80107 1 0 0 0 0 81 83 2 0 0 0 0 81108 1 0 0 0 0 82109 1 0 0 0 0 83110 1 0 0 0 0 84 86 2 0 0 0 0 84111 1 0 0 0 0 85 86 1 0 0 0 0 85112 1 0 0 0 0 86113 1 0 0 0 0 M END > 16155631 > 0 > 4730 > 2 > 0 > 3 > AAADceB+IAAAAAAAAAAAAAAAGDAAAYMGDBAwYMGDBggAAAABVAAAHgAAAAAADgjhmAYwwMIAAACoAjxzxACCAAAgAgAIiAEgZIgIIDKAkZGAIABggAAIyAcYiMCPwAACAAAQAACAAAQAACAAAQAACAAAAA== > InChI=1S/C84H27NO/c86-19-80-17-7-5-9-21-14-12-20(13-15-21)8-4-6-16-79(18-85-22-10-2-1-3-11-22)81-71-57-47-36-27-23-24-26-31-25(23)32-29-34(27)42(47)53-45-38(29)49-40(32)51-44(31)52-41-33(26)30-35-28(24)37(36)48-43(35)54-46-39(30)50(41)64-68-56(46)66(62(54)72(81)58(48)57)76-70-69-75(82(76,79)81)65(61(53)71)55(45)67-63(49)73-59(51)60(52)74(64)84(80,78(68)70)83(73,80)77(67)69/h1-3,10-15,18-19H,4-9,16-17H2 > WXTOZTCENOKOEA-UHFFFAOYSA-N > 16.9 > 1065.209264 > C84H27NO > 1066.11928 > C1CCC2(C34C25C6=C7C8=C9C2=C%10C%11=C%12C%13=C%14C%15=C%12C%12=C%16C%11=C2C2=C8C8=C6C6=C%11C%17=C%18C%19=C%20C(=C%15C%15=C%20C%17=C%17C%11%11C8(C2=C%16C%17=C%15%12)C%11(CCCCC2=CC=C(C1)C=C2)C=O)C1=C%14C2=C8C%13=C%10C%10=C8C(=C3C7=C%109)C3=C4C(=C%19C1=C23)C%18=C56)C=NC1=CC=CC=C1 > C1CCC2(C34C25C6=C7C8=C9C2=C%10C%11=C%12C%13=C%14C%15=C%12C%12=C%16C%11=C2C2=C8C8=C6C6=C%11C%17=C%18C%19=C%20C(=C%15C%15=C%20C%17=C%17C%11%11C8(C2=C%16C%17=C%15%12)C%11(CCCCC2=CC=C(C1)C=C2)C=O)C1=C%14C2=C8C%13=C%10C%10=C8C(=C3C7=C%109)C3=C4C(=C%19C1=C23)C%18=C56)C=NC1=CC=CC=C1 > 29.4 > 1065.209264 > 0 > 86 > 0 > 3 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 14 8 10 20 8 11 13 8 11 21 8 12 14 8 12 22 8 13 14 8 15 27 8 15 31 8 16 28 8 16 32 8 17 24 8 17 33 8 18 25 8 18 34 8 19 24 8 19 29 8 20 25 8 20 30 8 21 27 8 21 29 8 22 28 8 22 30 8 24 37 8 25 38 8 27 41 8 28 42 8 29 39 8 30 40 8 31 32 8 31 43 8 32 44 8 33 34 8 33 45 8 34 46 8 37 39 8 37 49 8 38 40 8 38 50 8 39 47 8 4 15 3 40 48 8 41 47 8 41 51 8 42 48 8 42 52 8 43 51 8 43 53 8 44 52 8 44 53 8 45 49 8 45 54 8 46 50 8 46 55 8 47 57 8 48 58 8 49 60 8 5 16 3 50 61 8 51 62 8 52 63 8 53 64 8 54 55 8 54 65 8 55 66 8 57 60 8 57 62 8 58 61 8 58 63 8 60 65 8 61 66 8 62 67 8 63 68 8 64 67 8 64 68 8 65 69 8 66 70 8 67 69 8 68 70 8 69 70 8 7 35 3 73 78 8 73 79 8 76 80 8 76 81 8 77 82 8 77 83 8 78 84 8 79 85 8 80 82 8 81 83 8 84 86 8 85 86 8 9 13 8 9 19 8 $$$$