5281303 -OEChem-04232422032D 95102 0 1 0 0 0 0 0999 V2000 6.0380 1.9158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1724 2.8452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4368 0.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0438 -1.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5198 1.7319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1737 -2.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0406 4.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1181 -0.7264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4650 4.7198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6339 -2.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -1.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5267 0.3955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -0.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9456 1.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3251 -3.9523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4941 -3.9593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9782 1.5739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1519 0.5891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8046 2.5587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1519 -0.4109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2859 -0.9109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2875 2.6888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4612 1.7040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4198 -0.4109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2859 1.0891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5440 1.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4198 0.5891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5098 -0.9178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0283 3.9894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1237 -0.6201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3019 -1.9524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9179 -0.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9530 -1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6310 3.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5018 -1.9594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0160 3.8329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4039 -2.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 -0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8753 4.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5099 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5320 0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7614 5.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1852 -3.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 -3.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1131 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0570 -3.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7621 -3.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9172 -3.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0686 -4.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9403 -5.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8132 0.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1399 3.5259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 0.8669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4198 -1.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6415 1.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4810 0.5079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1386 1.3005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2609 1.4241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3079 -2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5194 -0.5286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3929 -0.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3165 0.4213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4268 -1.9759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1824 -2.2239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2415 3.6512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5233 4.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0204 3.4358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5006 -2.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8555 3.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0066 -2.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8049 -2.9531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4391 0.2719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4752 -0.5444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9372 1.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3234 5.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8184 4.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3692 -1.2932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8584 6.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0072 -1.1348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9928 -2.3748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6109 -0.7781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4767 -0.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6153 -0.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4541 -3.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 -4.2606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 -4.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2334 -3.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4505 -3.1061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6010 -2.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5352 -5.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6365 -5.9626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4808 -5.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2441 -4.8816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 1 0 0 0 1 19 1 0 0 0 0 2 23 1 0 0 0 0 2 36 1 0 0 0 0 3 27 1 0 0 0 0 3 38 1 0 0 0 0 4 30 1 0 0 0 0 4 33 1 0 0 0 0 25 5 1 1 0 0 0 5 75 1 0 0 0 0 31 6 1 1 0 0 0 6 43 1 0 0 0 0 29 7 1 6 0 0 0 7 77 1 0 0 0 0 30 8 1 6 0 0 0 8 78 1 0 0 0 0 9 36 1 0 0 0 0 9 42 1 0 0 0 0 35 10 1 1 0 0 0 10 44 1 0 0 0 0 11 40 1 0 0 0 0 11 45 1 0 0 0 0 12 41 1 0 0 0 0 12 46 1 0 0 0 0 13 40 2 0 0 0 0 14 41 2 0 0 0 0 15 43 2 0 0 0 0 16 44 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 18 32 1 6 0 0 0 19 22 1 0 0 0 0 19 34 1 6 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0 20 52 1 1 0 0 0 21 24 1 0 0 0 0 21 31 1 0 0 0 0 21 33 1 6 0 0 0 22 26 1 0 0 0 0 22 29 1 0 0 0 0 22 53 1 1 0 0 0 23 26 1 0 0 0 0 23 54 1 6 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 55 1 1 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 6 0 0 0 28 35 1 0 0 0 0 28 38 1 0 0 0 0 28 40 1 6 0 0 0 29 36 1 0 0 0 0 29 39 1 0 0 0 0 30 41 1 0 0 0 0 31 37 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 37 1 0 0 0 0 35 69 1 0 0 0 0 36 70 1 6 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 39 42 2 0 0 0 0 39 76 1 0 0 0 0 42 79 1 0 0 0 0 43 47 1 0 0 0 0 44 48 1 0 0 0 0 45 80 1 0 0 0 0 45 81 1 0 0 0 0 45 82 1 0 0 0 0 46 83 1 0 0 0 0 46 84 1 0 0 0 0 46 85 1 0 0 0 0 47 49 1 0 0 0 0 47 50 2 0 0 0 0 48 86 1 0 0 0 0 48 87 1 0 0 0 0 48 88 1 0 0 0 0 49 89 1 0 0 0 0 49 90 1 0 0 0 0 49 91 1 0 0 0 0 50 51 1 0 0 0 0 50 92 1 0 0 0 0 51 93 1 0 0 0 0 51 94 1 0 0 0 0 51 95 1 0 0 0 0 M END > 5281303 > 1 > 1660 > 16 > 3 > 10 > AAADcfB8PgAAAAAAAAAAAAAAEgAAAaJECAA0aIEABIAAAEjAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSCAIACAAgIAAICAFAAEgRFBYAIQQiUAAF4AAHMYHK7PzPgAAAAAAAAADAAAYQADCAAYQADCAAAA== > dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetoxy-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate > (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methyl-1-oxobut-2-enoxy]-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylic acid dimethyl ester > dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate > dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate > dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetyloxy-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-6-[(1S,2S,6S,8S,9R,11S)-11-methyl-2-oxidanyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-4,7-bis(oxidanyl)-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate > (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetoxy-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylic acid dimethyl ester > InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1 > FTNJWQUOZFUQQJ-NDAWSKJSSA-N > -0.6 > 720.26293531 > C35H44O16 > 720.7 > CC=C(C)C(=O)OC1CC(C2(COC3C2C14COC(C4C(C3O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C > C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@]([C@H]4[C@]([C@@H]3O)(C)[C@@]56[C@@H]7C[C@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C > 215 > 720.26293531 > 0 > 51 > 16 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 17 1 5 35 10 5 18 32 6 19 34 6 20 52 5 21 33 6 22 53 5 23 54 6 24 55 5 27 59 6 28 40 6 36 70 6 25 5 5 31 6 5 29 7 6 30 8 6 $$$$