9852185 -OEChem-04252416342D 90 95 0 1 0 0 0 0 0999 V2000 11.4875 1.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0776 -0.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0753 -0.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0776 -3.0266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9278 -0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5513 -3.0266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2669 3.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1871 1.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8407 -0.7049 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6038 -0.2643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6245 0.4995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2512 0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3670 -0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3670 -1.5860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8407 -1.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1128 -0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6038 -2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6488 0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9878 1.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2511 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0776 -2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3144 -0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3144 -1.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1892 1.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5513 -0.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5513 -2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7286 2.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7882 -0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7882 -1.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5513 0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2690 3.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9278 -2.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7275 2.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0236 -0.6315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6852 1.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0236 -1.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0237 -0.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5357 0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6852 2.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5118 -1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8192 2.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5513 2.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5118 -1.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -2.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4879 -3.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3716 0.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9776 -0.8125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5790 -0.1222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9671 -2.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6038 -2.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0473 0.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6563 0.0983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4071 0.9736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4445 1.8496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5685 1.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2571 0.1437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8711 0.7697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2451 1.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5699 1.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1619 0.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7633 1.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8197 3.6216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9841 3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7184 3.0517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9535 -2.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0144 -3.3366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1483 0.9257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4910 -1.9768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1398 -0.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4441 -0.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0768 0.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2331 0.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9945 -0.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8862 3.2159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3956 -2.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0914 -1.6967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 3.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2823 3.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5092 2.1988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8613 2.1988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0882 3.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2413 3.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2093 -0.9216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0086 -1.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3801 -2.2994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9914 -2.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9467 -3.4972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7904 -3.7358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 -2.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 9 2 1 1 0 0 0 2 22 1 0 0 0 0 3 16 2 0 0 0 0 4 21 2 0 0 0 0 5 28 1 0 0 0 0 5 34 1 0 0 0 0 6 26 1 0 0 0 0 6 67 1 0 0 0 0 7 33 1 0 0 0 0 7 75 1 0 0 0 0 8 33 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 47 1 1 0 0 0 11 16 1 0 0 0 0 11 18 1 6 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 50 1 1 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 17 51 1 0 0 0 0 18 24 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 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 23 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 24 60 1 0 0 0 0 25 28 2 0 0 0 0 25 30 1 0 0 0 0 26 29 2 0 0 0 0 27 31 1 0 0 0 0 27 33 1 0 0 0 0 28 29 1 0 0 0 0 29 32 1 0 0 0 0 30 35 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 36 2 0 0 0 0 32 66 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 34 38 1 6 0 0 0 35 39 2 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 37 40 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 40 43 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 42 83 1 0 0 0 0 43 44 2 0 0 0 0 43 84 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 45 85 1 0 0 0 0 45 86 1 0 0 0 0 45 87 1 0 0 0 0 46 88 1 0 0 0 0 46 89 1 0 0 0 0 46 90 1 0 0 0 0 M END > 9852185 > 1 > 1490 > 8 > 2 > 8 > AAADcfB8PAAAAAAAAAAAAAAAAAAAASAAAAA0QIECBIAAAACRAAAAGgAACAAADUSAmAACDoAABgCIAqDSCAICCAAkIAAIiAFECMgNJzaGNR6CeWCl4BUKuYeK7vzuoAACCAAIAADAAAYQADCAAAAAAAAAAA== > (Z)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-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(13),5,9,11,15-pentaen-19-yl]-2-methyl-but-2-enoic acid > (Z)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-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(13),5,9,11,15-pentaen-19-yl]-2-methyl-2-butenoic acid > (Z)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-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(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid > (Z)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-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(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid > (Z)-2-methyl-4-[(1S,2S,8R,17S,19R)-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-12-oxidanyl-14,18-bis(oxidanylidene)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]but-2-enoic acid > (Z)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-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(13),5,9,11,15-pentaen-19-yl]-2-methyl-but-2-enoic acid > InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,36-,37+,38-/m1/s1 > GEZHEQNLKAOMCA-RRZNCOCZSA-N > 7.3 > 628.30361836 > C38H44O8 > 628.7 > CC(=CCCC1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)CC=C(C)C(=O)O)O)C)C > CC(=CCC[C@@]1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)O[C@@]45[C@H]6C[C@@H](C=C4C3=O)C(=O)[C@@]5(OC6(C)C)C/C=C(/C)\C(=O)O)O)C)C > 119 > 628.30361836 > 0 > 46 > 5 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 47 5 11 18 6 14 50 5 9 2 5 22 23 8 22 25 8 23 26 8 25 28 8 26 29 8 28 29 8 34 38 6 $$$$