5284461 -OEChem-09272320512D 67 70 0 1 0 0 0 0 0999 V2000 2.0213 0.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9018 1.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0711 3.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9803 4.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5891 -1.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4036 -2.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6228 4.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8613 -1.2931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1319 -2.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1274 1.2502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7284 1.2590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3484 0.3845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8686 2.2161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1052 3.0647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7625 1.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2392 3.5647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1774 0.9437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8685 0.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 -0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5194 -0.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3377 -1.1194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1206 0.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2013 -0.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3299 4.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1017 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 4.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3007 -2.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8298 -2.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3666 -3.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2637 -3.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3296 -4.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0949 -3.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6486 3.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1861 3.6794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1449 1.4638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8166 2.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6192 3.5667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8821 1.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4674 0.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 -0.3146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2696 0.4448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2280 -1.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7893 -0.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9178 -0.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2672 0.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8217 -1.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6306 0.8542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3815 4.6911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3714 -0.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6600 -1.2415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8321 -1.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1354 5.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8947 4.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4563 3.9494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 -2.6858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8731 -3.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 -2.7723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1934 -4.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7503 -3.4897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2229 -3.3801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9483 -4.9557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3705 -5.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7110 -5.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7502 -2.9274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6102 -3.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4396 -3.9581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 1 0 0 0 1 15 1 0 0 0 0 2 13 1 0 0 0 0 2 17 1 0 0 0 0 14 3 1 1 0 0 0 3 24 1 0 0 0 0 16 4 1 6 0 0 0 4 49 1 0 0 0 0 5 20 1 0 0 0 0 5 26 1 0 0 0 0 21 6 1 1 0 0 0 6 28 1 0 0 0 0 7 24 2 0 0 0 0 8 26 2 0 0 0 0 9 28 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 1 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 17 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 1 0 0 0 13 16 1 0 0 0 0 13 34 1 6 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 22 1 0 0 0 0 17 39 1 1 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 23 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 29 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 M END > 5284461 > 1 > 881 > 9 > 1 > 9 > AAADcfB4PAAAAAAAAAAAAAAAEgAAAYAAAAAkQAAABIAAAACAAAAAGgAACAAAD1SggAICCAAABgCIAiDSCAAAAAAgAAAACAEAAAgBFBIAIQACUAAFgAALIAPA4PwPgAAAAAAAAAAAAAAAAAAAAIQADCAAAA== > [(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetoxy-2-(acetoxymethyl)-10-hydroxy-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate > 3-methylbutanoic acid [(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethyl-4-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]yl] ester > [(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate > [(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate > [(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-2-(acetyloxymethyl)-1,5-dimethyl-10-oxidanyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate > 3-methylbutyric acid [(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetoxy-2-(acetoxymethyl)-10-hydroxy-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] ester > InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1 > BXFOFFBJRFZBQZ-QYWOHJEZSA-N > 0.9 > 466.22028266 > C24H34O9 > 466.5 > CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C > CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C > 121 > 466.22028266 > 0 > 33 > 8 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 11 1 5 10 18 5 12 20 5 13 34 6 17 39 5 14 3 5 16 4 6 21 6 5 $$$$