16153649 -OEChem-05231312132D 112146 0 1 0 0 0 0 0999 V2000 11.1645 0.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3003 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4782 3.4382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7066 -2.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2453 1.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7758 -2.8070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1207 2.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3494 -2.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6524 -3.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2286 -1.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 1.1965 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0729 -0.8381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7389 0.6827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2068 -0.3381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7311 1.7247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2066 -1.3386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9389 0.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 -0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 -0.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 0.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4316 2.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 -1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 -0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 1.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4751 1.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 2.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -1.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2749 -1.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 1.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 2.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -2.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0386 -0.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2306 2.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -1.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 2.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9466 -2.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5717 1.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6016 -2.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1100 2.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7066 -2.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -2.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 2.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 3.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -3.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2329 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -1.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 3.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -3.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7503 0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 -0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8246 -2.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 2.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0142 3.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -2.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8262 1.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 -1.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 3.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4962 -3.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7176 -2.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 1.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9388 3.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -3.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7312 1.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -1.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8581 3.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -4.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7942 -1.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8168 2.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -2.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 -3.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 3.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -3.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4272 -0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2058 -3.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4675 3.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2066 -1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3233 -1.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1921 -3.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8356 4.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7066 -0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8672 -2.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6174 -2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3704 -1.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1223 -3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5086 -3.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1295 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9701 -0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8093 -0.5835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7576 -3.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3421 -2.7278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4501 2.9645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0748 3.4596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7316 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7316 -1.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4121 4.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0639 5.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2592 4.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 -0.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0166 0.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1697 -0.1626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0688 -1.2679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4347 -3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8951 -3.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4195 -4.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1222 -4.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3120 -0.6117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5370 -1.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9470 -1.7968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 1 77 1 0 0 0 0 2 40 1 0 0 0 0 2 78 1 0 0 0 0 3 41 1 0 0 0 0 3 79 1 0 0 0 0 4 42 1 0 0 0 0 4 80 1 0 0 0 0 5 39 2 0 0 0 0 6 40 2 0 0 0 0 7 41 2 0 0 0 0 8 42 2 0 0 0 0 9 85 1 0 0 0 0 9 89 1 0 0 0 0 10 86 1 0 0 0 0 10 90 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 14 26 1 0 0 0 0 15 39 1 0 0 0 0 15 41 1 1 0 0 0 16 40 1 0 0 0 0 16 42 1 6 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 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InChI=1S/C80H22O10/c1-5-87-71(81)79-73(83)89-9-11-7-14(86-4)12(8-13(11)85-3)10-90-74(84)80(72(82)88-6-2)76-64-52-44-36-28-20-15-16-18-21-25-19(16)27-23-17(15)22-26(20)38(44)46-40-29(22)33-31(23)41-35(27)43-37(25)45-39-30(21)34-32(24(18)28)42(36)56(64)58-48(34)49(39)59-62(68(58)76)69-70-61-60(66(54(46)52)78(70,76)80)50(40)47(33)57-55(41)63-51(43)53(45)65(59)77(69,79)75(63,79)67(57)61/h7-8H,5-6,9-10H2,1-4H3/t75?,76?,77?,78?,79-,80+ > MDNFOUKMFCBPNG-XQCRBRNWSA-N > 15.2 > 1142.121297 > C80H22O10 > 1143.02468 > CCOC(=O)C12C(=O)OCC3=CC(=C(COC(=O)C4(C56C47C8=C9C4=C%10C%11=C%12C4=C4C%13=C%14C11C4=C9C7=C4C12C1=C2C4=C5C4=C5C2=C2C7=C5C5=C9C4=C6C4=C8C%10=C6C4=C9C4=C5C5=C7C7=C8C5=C5C4=C6C%11=C5C4=C8C(=C5C7=C2C1=C5%14)C%13=C4%12)C(=O)OCC)C=C3OC)OC > CCOC(=O)[C@@]12C(=O)OCC3=CC(=C(COC(=O)[C@]4(C56C47C8=C9C4=C%10C%11=C%12C4=C4C%13=C%14C11C4=C9C7=C4C21C1=C2C4=C5C4=C5C2=C2C7=C5C5=C9C4=C6C4=C8C%10=C6C4=C9C4=C5C5=C7C7=C8C5=C5C4=C6C%11=C5C4=C8C(=C5C7=C2C1=C5%14)C%13=C4%12)C(=O)OCC)C=C3OC)OC > 124 > 1142.121297 > 0 > 90 > 2 > 4 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 11 21 3 12 22 3 13 25 3 14 26 3 15 41 5 16 42 6 17 18 8 17 24 8 18 23 8 19 23 8 19 29 8 20 24 8 20 30 8 21 27 8 21 31 8 22 28 8 22 32 8 23 28 8 24 27 8 25 33 8 25 35 8 26 34 8 26 36 8 27 37 8 28 38 8 29 33 8 29 43 8 30 34 8 30 44 8 31 35 8 31 45 8 32 36 8 32 46 8 33 51 8 34 52 8 35 47 8 36 48 8 37 44 8 37 49 8 38 43 8 38 50 8 43 53 8 44 54 8 45 49 8 45 55 8 46 50 8 46 56 8 47 55 8 47 57 8 48 56 8 48 58 8 49 59 8 50 60 8 51 57 8 51 61 8 52 58 8 52 62 8 53 60 8 53 61 8 54 59 8 54 62 8 55 63 8 56 64 8 57 65 8 58 66 8 59 67 8 60 68 8 61 69 8 62 70 8 63 67 8 63 71 8 64 68 8 64 72 8 65 69 8 65 71 8 66 70 8 66 72 8 67 74 8 68 73 8 69 73 8 70 74 8 71 75 8 72 76 8 73 76 8 74 75 8 75 76 8 81 85 8 81 87 8 82 86 8 82 88 8 85 88 8 86 87 8 $$$$