16758013 -OEChem-05072402002D 95100 0 1 0 0 0 0 0999 V2000 10.0063 2.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8327 1.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9547 0.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8327 -1.5235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3633 -1.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6772 1.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6943 4.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0181 4.5711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8112 -0.2017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5958 0.7983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3796 2.0026 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3589 1.2389 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2426 3.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8679 1.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1221 -0.0829 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5958 -0.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1221 0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3589 -0.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2622 1.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4048 3.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 3.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8327 -0.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0695 0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0695 -0.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5142 2.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3064 1.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3064 -0.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4783 2.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5432 0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5432 -0.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3064 2.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4877 -2.0884 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1904 2.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6259 -0.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7302 3.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5974 -1.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4404 2.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9997 -2.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 -2.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4404 3.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9998 -2.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8112 0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5743 4.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3064 4.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 1.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5118 -3.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -3.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 -4.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8893 2.3557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4072 0.8938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1681 1.7422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5598 -0.5220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3589 -1.1435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3919 1.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8821 1.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0166 3.8924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5053 4.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7930 4.0935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6389 4.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8034 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0696 2.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0727 3.0709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9170 2.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5184 2.8215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7551 1.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6319 1.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6257 2.6407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1023 -0.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0562 -1.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9034 2.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9005 -3.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5852 -3.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4670 -3.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3170 -3.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5322 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 -2.3631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4143 -2.7711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8505 4.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8843 4.7758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 4.5488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2643 3.7019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6164 3.7019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8433 4.5489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9964 4.7758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2552 1.8352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4082 1.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6352 0.7613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8293 -4.3806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 -4.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7215 -5.2759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -5.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5326 -2.6854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6826 -2.4702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 -3.3202 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 1 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 32 1 0 0 0 0 6 29 1 0 0 0 0 6 42 1 0 0 0 0 7 35 1 0 0 0 0 7 79 1 0 0 0 0 8 35 2 0 0 0 0 9 42 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 2 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 25 63 1 0 0 0 0 26 29 2 0 0 0 0 26 31 1 0 0 0 0 27 30 2 0 0 0 0 28 33 1 0 0 0 0 28 35 1 0 0 0 0 29 30 1 0 0 0 0 30 34 1 0 0 0 0 31 37 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 36 1 0 0 0 0 32 38 1 0 0 0 0 32 39 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 36 2 0 0 0 0 34 69 1 0 0 0 0 36 70 1 0 0 0 0 37 40 2 0 0 0 0 37 71 1 0 0 0 0 38 41 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 40 43 1 0 0 0 0 40 44 1 0 0 0 0 41 46 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 42 45 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 > 16758013 > 1 > 1600 > 9 > 1 > 10 > AAADcfB8PAAAAAAAAAAAAAAAAAAAASAAAAA0YIECBIAAAACRAAAAGgAACAAADUSAmAACDoAABgCIAqDSCAICCAAkIAAIiAFECMgNJzaENR6Ce2Cl4BUKuYeK7vzuoAACCAAIAADAAAYQADCAAAAAAAAAAA== > (E)-4-[(2R)-6-acetoxy-10,21,21-trimethyl-5-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-14,18-dioxo-3,11,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.07,12]docosa-4(13),5,7(12),8,15-pentaen-19-yl]-2-methyl-but-2-enoic acid > (E)-4-[(2R)-6-acetyloxy-10,21,21-trimethyl-5-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-14,18-dioxo-3,11,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.07,12]docosa-4(13),5,7(12),8,15-pentaen-19-yl]-2-methyl-2-butenoic acid > (E)-4-[(2R)-6-acetyloxy-10,21,21-trimethyl-5-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-14,18-dioxo-3,11,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.07,12]docosa-4(13),5,7(12),8,15-pentaen-19-yl]-2-methylbut-2-enoic acid > (E)-4-[(2R)-6-acetyloxy-10,21,21-trimethyl-5-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-14,18-dioxo-3,11,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.07,12]docosa-4(13),5,7(12),8,15-pentaen-19-yl]-2-methylbut-2-enoic acid > (E)-4-[(2R)-6-acetyloxy-10,21,21-trimethyl-5-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-14,18-bis(oxidanylidene)-3,11,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.07,12]docosa-4(13),5,7(12),8,15-pentaen-19-yl]-2-methyl-but-2-enoic acid > (E)-4-[(2R)-6-acetoxy-14,18-diketo-10,21,21-trimethyl-5-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-3,11,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.07,12]docosa-4(13),5,7(12),8,15-pentaen-19-yl]-2-methyl-but-2-enoic acid > InChI=1S/C40H46O9/c1-21(2)11-10-16-38(9)17-15-27-32(46-24(6)41)26(13-12-22(3)4)34-30(33(27)47-38)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 > RIFZOYVQOFHOCS-WIKVJIRTSA-N > 6.9 > 670.31418304 > C40H46O9 > 670.8 > CC(=CCCC1(C=CC2=C(O1)C3=C(C(=C2OC(=O)C)CC=C(C)C)OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)CC=C(C)C(=O)O)C)C > CC(=CCCC1(C=CC2=C(O1)C3=C(C(=C2OC(=O)C)CC=C(C)C)O[C@]45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)C/C=C(\C)/C(=O)O)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 5 23 24 8 23 26 8 24 27 8 26 29 8 27 30 8 29 30 8 32 39 3 $$$$