16152566 -OEChem-04192400352D 118154 0 1 0 0 0 0 0999 V2000 8.7467 -9.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0671 0.1324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9700 3.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1420 -6.4331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2938 -6.3354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 0.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3049 9.4845 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9462 6.5406 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0802 7.0406 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.3500 10.5147 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.7062 8.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9623 9.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8122 7.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0802 8.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8122 8.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9462 8.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9623 5.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1702 6.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1039 9.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5745 11.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6122 8.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0642 10.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7062 6.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1702 8.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3484 8.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5591 11.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9503 5.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5834 7.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6122 7.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1621 9.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0642 4.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1621 5.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5066 10.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5287 12.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9842 1.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1520 5.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6689 6.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -12.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9119 6.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5639 11.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1482 6.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1487 9.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6207 4.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6687 7.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8094 4.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 5.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6995 8.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6632 12.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7963 5.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3889 9.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6236 7.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7375 12.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0594 4.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4678 6.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8240 4.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3274 3.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9625 8.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6191 12.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6784 12.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3153 3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6006 11.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5931 2.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4909 6.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8592 4.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0226 4.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8206 7.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4338 3.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1947 5.8571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0098 5.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7979 6.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5428 -12.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8862 4.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5657 4.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 -11.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5640 -11.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9107 2.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1782 4.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5305 -9.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5279 -9.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5414 1.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1659 2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5787 -8.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9586 -9.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9227 -1.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7393 2.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -4.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8878 -8.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0016 -4.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7519 1.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4364 -2.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 2.3002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3782 1.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4158 4.4687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7466 5.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5238 7.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0511 6.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3802 -12.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 -13.0463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1045 -11.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4511 2.2880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6448 4.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9972 -8.9903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8238 -9.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7380 -8.6728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5007 -2.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3166 -2.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9057 3.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9291 2.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8316 -4.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -4.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9717 -8.7072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4796 -7.6262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4656 -4.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3878 -4.1108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7003 2.3367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9946 -1.6238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0446 -2.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 79 1 0 0 0 0 1 83 1 0 0 0 0 2 80 1 0 0 0 0 2 84 1 0 0 0 0 3 81 1 0 0 0 0 3 85 1 0 0 0 0 4 82 1 0 0 0 0 4 86 1 0 0 0 0 5 87 1 0 0 0 0 5 88 1 0 0 0 0 6 89 1 0 0 0 0 6 90 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 8 36 1 0 0 0 0 9 14 1 0 0 0 0 9 18 1 0 0 0 0 9 37 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 38 1 0 0 0 0 11 15 1 0 0 0 0 11 21 2 0 0 0 0 12 16 1 0 0 0 0 12 22 2 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 17 27 1 0 0 0 0 17 31 2 0 0 0 0 18 28 2 0 0 0 0 18 32 1 0 0 0 0 19 25 1 0 0 0 0 19 33 2 0 0 0 0 20 26 1 0 0 0 0 20 34 2 0 0 0 0 21 25 1 0 0 0 0 21 29 1 0 0 0 0 22 26 1 0 0 0 0 22 30 1 0 0 0 0 23 27 2 0 0 0 0 23 29 1 0 0 0 0 24 28 1 0 0 0 0 24 30 2 0 0 0 0 25 39 2 0 0 0 0 26 40 2 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 29 41 2 0 0 0 0 30 42 1 0 0 0 0 31 32 1 0 0 0 0 31 45 1 0 0 0 0 32 46 2 0 0 0 0 33 34 1 0 0 0 0 33 47 1 0 0 0 0 34 48 1 0 0 0 0 35 71 1 0 0 0 0 35 91 1 0 0 0 0 35 92 1 0 0 0 0 36 72 1 0 0 0 0 36 93 1 0 0 0 0 36 94 1 0 0 0 0 37 73 1 0 0 0 0 37 95 1 0 0 0 0 37 96 1 0 0 0 0 38 74 1 0 0 0 0 38 97 1 0 0 0 0 38 98 1 0 0 0 0 39 41 1 0 0 0 0 39 51 1 0 0 0 0 40 42 1 0 0 0 0 40 52 1 0 0 0 0 41 49 1 0 0 0 0 42 50 2 0 0 0 0 43 49 1 0 0 0 0 43 53 2 0 0 0 0 44 50 1 0 0 0 0 44 54 2 0 0 0 0 45 53 1 0 0 0 0 45 55 2 0 0 0 0 46 54 1 0 0 0 0 46 55 1 0 0 0 0 47 51 2 0 0 0 0 47 58 1 0 0 0 0 48 52 2 0 0 0 0 48 59 1 0 0 0 0 49 56 2 0 0 0 0 50 57 1 0 0 0 0 51 60 1 0 0 0 0 52 61 1 0 0 0 0 53 62 1 0 0 0 0 54 63 1 0 0 0 0 55 64 1 0 0 0 0 56 60 1 0 0 0 0 56 62 1 0 0 0 0 57 61 1 0 0 0 0 57 63 2 0 0 0 0 58 59 2 0 0 0 0 58 65 1 0 0 0 0 59 66 1 0 0 0 0 60 65 2 0 0 0 0 61 66 2 0 0 0 0 62 67 2 0 0 0 0 63 68 1 0 0 0 0 64 67 1 0 0 0 0 64 68 2 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 75 2 0 0 0 0 72 73 1 0 0 0 0 72 76 2 0 0 0 0 73 77 2 0 0 0 0 74 78 2 0 0 0 0 75 79 1 0 0 0 0 75 99 1 0 0 0 0 76 80 1 0 0 0 0 76100 1 0 0 0 0 77 81 1 0 0 0 0 77101 1 0 0 0 0 78 82 1 0 0 0 0 78102 1 0 0 0 0 79 82 2 0 0 0 0 80 81 2 0 0 0 0 83 87 1 0 0 0 0 83103 1 0 0 0 0 83104 1 0 0 0 0 84 88 1 0 0 0 0 84105 1 0 0 0 0 84106 1 0 0 0 0 85 89 1 0 0 0 0 85107 1 0 0 0 0 85108 1 0 0 0 0 86 90 1 0 0 0 0 86109 1 0 0 0 0 86110 1 0 0 0 0 87111 1 0 0 0 0 87112 1 0 0 0 0 88113 1 0 0 0 0 88114 1 0 0 0 0 89115 1 0 0 0 0 89116 1 0 0 0 0 90117 1 0 0 0 0 90118 1 0 0 0 0 M END > 16152566 > 1 > 5010 > 6 > 0 > 0 > AAADceB8OAAAAAAAAAAAAAAAAAAAAYMGDBAwYMGDAAAAAADBVAAAGgAAAAAADgSgmAIwBsAABACAAiBCAAACCAAgIAAAiAAGiIgNJiKEMRqCOCKkwBEKqAeAwPAP4AADAAAQQADAAAYAACCAAQAACAAAAA== > InChI=1S/C84H28O6/c1-5-87-21-9-17-13-81-73-59-49-38-29-25-26-28-33-27(25)34-31-36(29)44(49)55-47-40(31)51-42(34)53-46(33)54-43-35(28)32-37-30(26)39(38)50-45(37)56-48-41(32)52(43)64-68-58(48)70(66(56)74(81)60(50)59)80-72-71-77-67-57(47)69(65(55)73)79(71)84(80,81)16-20(17)12-24(21)90-8-4-86-3-7-89-23-11-19-15-83(78(68)72)76(64)62(54)61(53)75(63(51)67)82(77,83)14-18(19)10-22(23)88-6-2-85-1/h9-12H,1-8,13-16H2 > KVBVWXXUVJCAMK-UHFFFAOYSA-N > 15.2 > 1132.18858861 > C84H28O6 > 1133.1 > C1COC2=C3C=C4CC56C7=C8C9=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%14C%14=C%18C%13=C%11C%11=C9C9=C7C7=C%13C%19=C%20C%21=C%22C(=C%17C%17=C%22C%19=C%19C%13%13C9(C%11=C%18C%19=C%17%14)CC9=CC(=C(C=C9C%13)OCCO1)OCCOCCO3)C1=C%16C3=C9C%15=C%12C%11=C9C9=C(C8=C%11%10)C5(CC4=C2)C2=C9C3=C1C%21=C2C%20=C67 > C1COC2=C3C=C4CC56C7=C8C9=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%14C%14=C%18C%13=C%11C%11=C9C9=C7C7=C%13C%19=C%20C%21=C%22C(=C%17C%17=C%22C%19=C%19C%13%13C9(C%11=C%18C%19=C%17%14)CC9=CC(=C(C=C9C%13)OCCO1)OCCOCCO3)C1=C%16C3=C9C%15=C%12C%11=C9C9=C(C8=C%11%10)C5(CC4=C2)C2=C9C3=C1C%21=C2C%20=C67 > 55.4 > 1132.18858861 > 0 > 90 > 0 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 38 3 11 15 8 11 21 8 12 16 8 12 22 8 13 15 8 13 23 8 14 16 8 14 24 8 15 16 8 17 27 8 17 31 8 18 28 8 18 32 8 19 25 8 19 33 8 20 26 8 20 34 8 21 25 8 21 29 8 22 26 8 22 30 8 23 27 8 23 29 8 24 28 8 24 30 8 25 39 8 26 40 8 27 43 8 28 44 8 29 41 8 30 42 8 31 32 8 31 45 8 32 46 8 33 34 8 33 47 8 34 48 8 39 41 8 39 51 8 40 42 8 40 52 8 41 49 8 42 50 8 43 49 8 43 53 8 44 50 8 44 54 8 45 53 8 45 55 8 46 54 8 46 55 8 47 51 8 47 58 8 48 52 8 48 59 8 49 56 8 50 57 8 51 60 8 52 61 8 53 62 8 54 63 8 55 64 8 56 60 8 56 62 8 57 61 8 57 63 8 58 59 8 58 65 8 59 66 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 71 74 8 71 75 8 72 73 8 72 76 8 73 77 8 74 78 8 75 79 8 76 80 8 77 81 8 78 82 8 79 82 8 8 36 3 80 81 8 9 37 3 $$$$