70675841 -OEChem-04262408492D 80 83 0 1 0 0 0 0 0999 V2000 7.4602 1.0369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4162 10.6274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 8.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2063 10.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3307 9.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9351 10.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1208 7.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7115 7.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 9.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4632 8.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 10.3547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3262 1.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9602 1.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9602 0.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4436 5.5230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9214 9.1046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9110 9.1046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6156 10.0457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6156 8.1635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2168 8.1635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6261 10.0457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1208 8.5230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2168 10.0457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3203 9.1046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4162 7.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7115 8.5230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7250 9.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1678 7.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 10.6274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5121 9.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0249 10.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1189 7.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8588 6.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0159 8.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 11.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5776 7.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5776 6.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4436 4.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3096 6.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5942 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3553 7.3543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 7.3239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5684 8.2415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4794 10.8541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0576 8.2962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0013 7.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8310 7.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2640 8.2415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3779 10.9089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5415 11.1257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5839 7.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9273 6.9558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7085 7.3538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3105 8.1351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2691 7.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6672 6.3138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4484 6.7118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3444 7.8586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5416 8.7129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6873 8.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4455 11.6274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 12.2474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2055 11.6274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1881 6.9153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7896 7.6056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9670 6.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3655 5.4403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8236 4.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4436 3.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0636 4.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6196 5.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8465 6.3330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9996 6.5599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2842 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8632 1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 6.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 2 0 0 0 0 1 14 2 0 0 0 0 1 41 1 0 0 0 0 19 2 1 1 0 0 0 2 24 1 0 0 0 0 3 20 1 0 0 0 0 3 28 1 0 0 0 0 4 24 1 0 0 0 0 4 31 1 0 0 0 0 5 25 1 0 0 0 0 5 32 1 0 0 0 0 22 6 1 1 0 0 0 6 51 1 0 0 0 0 23 7 1 1 0 0 0 7 52 1 0 0 0 0 27 8 1 6 0 0 0 8 37 1 0 0 0 0 9 28 2 0 0 0 0 10 31 2 0 0 0 0 11 32 2 0 0 0 0 12 78 1 0 0 0 0 15 79 1 0 0 0 0 15 80 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 23 1 6 0 0 0 18 21 1 1 0 0 0 18 24 1 0 0 0 0 18 27 1 0 0 0 0 19 22 1 0 0 0 0 19 28 1 0 0 0 0 20 26 1 0 0 0 0 20 42 1 6 0 0 0 21 26 1 0 0 0 0 21 29 1 0 0 0 0 21 43 1 1 0 0 0 22 25 1 0 0 0 0 22 30 1 0 0 0 0 23 25 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 1 0 0 0 25 46 1 1 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 31 1 0 0 0 0 27 49 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 29 35 1 0 0 0 0 30 32 1 0 0 0 0 30 36 1 1 0 0 0 30 50 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 37 38 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 41 77 1 0 0 0 0 M END > 70675841 > 1 > 1120 > 15 > 4 > 5 > AAADcfB6PABAAAAAAAAAAAAAAAAAAaNEiRAAAAAAAAASJAAAAAAAHgQACAAAD1TxgAeCCAMABoIIAACQCHIAAAAAAAAAAAFIAAATEBYAAAQjQAAFIAAXAAHK7vzPgAAAAAAAAAAAAAAAAAAAAYQADCAAAA== > (1R,3R,6R,7S,8S,10R,11R,12R,13S,16S,17R)-8-tert-butyl-6-[2-(dimethylamino)ethoxy]-12,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione;methanesulfonic acid;hydrate > (1R,3R,6R,7S,8S,10R,11R,12R,13S,16S,17R)-8-tert-butyl-6-[2-(dimethylamino)ethoxy]-12,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione;methanesulfonic acid;hydrate > (1R,3R,6R,7S,8S,10R,11R,12R,13S,16S,17R)-8-tert-butyl-6-[2-(dimethylamino)ethoxy]-12,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione;methanesulfonic acid;hydrate > (1R,3R,6R,7S,8S,10R,11R,12R,13S,16S,17R)-8-tert-butyl-6-[2-(dimethylamino)ethoxy]-12,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione;methanesulfonic acid;hydrate > (1R,3R,6R,7S,8S,10R,11R,12R,13S,16S,17R)-8-tert-butyl-6-[2-(dimethylamino)ethoxy]-16-methyl-12,17-bis(oxidanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione;methanesulfonic acid;hydrate > (1R,3R,6R,7S,8S,10R,11R,12R,13S,16S,17R)-8-tert-butyl-6-[2-(dimethylamino)ethoxy]-12,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione;mesylic acid;hydrate > InChI=1S/C24H33NO10.CH4O3S.H2O/c1-10-16(27)33-14-13(26)22-12-9-11(20(2,3)4)21(22)15(31-8-7-25(5)6)17(28)34-19(21)35-24(22,18(29)32-12)23(10,14)30;1-5(2,3)4;/h10-15,19,26,30H,7-9H2,1-6H3;1H3,(H,2,3,4);1H2/t10-,11+,12-,13+,14+,15+,19+,21+,22+,23-,24-;;/m1../s1 > WGPQOIFLBAYNDE-ILZBEBSESA-N > 609.20912609 > C25H39NO14S > 609.6 > CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)OCCN(C)C)O.CS(=O)(=O)O.O > C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3([C@H]2O)[C@@]6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)OCCN(C)C)O.CS(=O)(=O)O.O > 205 > 609.20912609 > 0 > 41 > 11 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 17 23 6 18 21 5 19 2 5 20 42 6 21 43 5 24 45 5 25 46 5 30 36 5 22 6 5 23 7 5 27 8 6 $$$$