16758035 -OEChem-04262410592D 95100 0 1 0 0 0 0 0999 V2000 11.4875 1.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0776 -0.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0753 0.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0776 -2.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5513 -2.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9278 0.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7537 3.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4069 4.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8192 -2.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8407 -0.5282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6038 -0.0876 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6245 0.6761 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.2512 0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3670 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3670 -1.4094 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8407 -1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1128 -0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6038 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6488 0.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9878 1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2376 0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0776 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3144 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3144 -1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3504 1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5513 -0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5513 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0278 2.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7882 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7882 -1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5513 0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0036 2.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9278 -1.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7295 3.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0236 -0.4549 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6852 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0236 -1.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0237 -0.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6853 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5357 0.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6852 2.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5118 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6853 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8192 2.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5513 2.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5118 -1.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -2.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4879 -3.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2060 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9776 -0.6359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5790 0.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8047 -1.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6038 -2.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0339 0.8155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6202 0.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4071 1.1502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4445 2.0262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5685 2.0636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1359 0.1549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8492 0.6648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3394 1.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7454 1.9850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1619 0.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7633 1.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8679 1.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6086 2.2305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1393 2.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9535 -2.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1483 1.1024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4910 -1.8002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1398 0.1680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4441 -0.2209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0768 0.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2331 0.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9945 0.1155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5687 4.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3956 -1.9090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0914 -1.5201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 -4.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6853 -4.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3053 -4.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 3.4493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2823 3.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5092 2.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8613 2.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0882 3.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2413 3.4493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2093 -0.7450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0086 -1.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3801 -2.1227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9914 -2.7513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9467 -3.3206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7904 -3.5592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 -2.7155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 10 2 1 6 0 0 0 2 23 1 0 0 0 0 3 17 2 0 0 0 0 4 22 2 0 0 0 0 5 27 1 0 0 0 0 5 39 1 0 0 0 0 6 29 1 0 0 0 0 6 35 1 0 0 0 0 7 34 1 0 0 0 0 7 77 1 0 0 0 0 8 34 2 0 0 0 0 9 39 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 50 1 0 0 0 0 12 17 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 53 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 18 54 1 0 0 0 0 19 25 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 23 26 2 0 0 0 0 24 27 2 0 0 0 0 25 28 2 0 0 0 0 25 63 1 0 0 0 0 26 29 1 0 0 0 0 26 31 1 0 0 0 0 27 30 1 0 0 0 0 28 32 1 0 0 0 0 28 34 1 0 0 0 0 29 30 2 0 0 0 0 30 33 1 0 0 0 0 31 36 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 37 2 0 0 0 0 33 69 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 35 40 1 0 0 0 0 36 41 2 0 0 0 0 36 70 1 0 0 0 0 37 71 1 0 0 0 0 38 42 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 39 43 1 0 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 41 44 1 0 0 0 0 41 45 1 0 0 0 0 42 46 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 43 82 1 0 0 0 0 44 83 1 0 0 0 0 44 84 1 0 0 0 0 44 85 1 0 0 0 0 45 86 1 0 0 0 0 45 87 1 0 0 0 0 45 88 1 0 0 0 0 46 47 2 0 0 0 0 46 89 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 48 90 1 0 0 0 0 48 91 1 0 0 0 0 48 92 1 0 0 0 0 49 93 1 0 0 0 0 49 94 1 0 0 0 0 49 95 1 0 0 0 0 M END > 16758035 > 1 > 1600 > 9 > 1 > 10 > AAADcfB8PAAAAAAAAAAAAAAAAAAAASAAAAA0QIECBIAAAACRAAAAGgAACAAADUSAmAACDoAABgCIAqDSCAICCAAkIAAIiAFECMgNJzaENR6Ce2Cl4BUKuYeK7vzuoAACCAAIAADAAAYQADCAAAAAAAAAAA== > (E)-4-[(2R)-12-acetoxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methyl-but-2-enoic acid > (E)-4-[(2R)-12-acetyloxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methyl-2-butenoic acid > (E)-4-[(2R)-12-acetyloxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methylbut-2-enoic acid > (E)-4-[(2R)-12-acetyloxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methylbut-2-enoic acid > (E)-4-[(2R)-12-acetyloxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-bis(oxidanylidene)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methyl-but-2-enoic acid > (E)-4-[(2R)-12-acetoxy-14,18-diketo-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methyl-but-2-enoic acid > InChI=1S/C40H46O9/c1-21(2)11-10-16-38(9)17-15-27-32(47-38)26(13-12-22(3)4)34-30(33(27)46-24(6)41)31(42)28-19-25-20-29-37(7,8)49-39(35(25)43,40(28,29)48-34)18-14-23(5)36(44)45/h11-12,14-15,17,19,25,29H,10,13,16,18,20H2,1-9H3,(H,44,45)/b23-14+/t25?,29?,38?,39?,40-/m0/s1 > REDMIYQFNIRTDF-WIKVJIRTSA-N > 6.9 > 670.31418304 > C40H46O9 > 670.8 > CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2OC(=O)C)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)CC=C(C)C(=O)O)CC=C(C)C)C)C > CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2OC(=O)C)C(=O)C4=CC5CC6[C@]4(O3)C(C5=O)(OC6(C)C)C/C=C(\C)/C(=O)O)CC=C(C)C)C)C > 125 > 670.31418304 > 0 > 49 > 1 > 4 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 11 14 3 12 19 3 15 14 3 10 2 6 23 24 8 23 26 8 24 27 8 26 29 8 27 30 8 29 30 8 35 40 3 $$$$