10694761 -OEChem-05062415012D 60 64 0 1 0 0 0 0 0999 V2000 6.4162 0.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9341 -2.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1503 -2.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4153 -0.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7524 -1.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0732 -0.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6057 2.5774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9839 3.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6980 -0.5171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7822 1.5830 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7061 -0.6475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0888 0.2764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7822 -1.0301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8584 -0.6475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7061 1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4757 0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0223 -1.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8584 1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6219 -0.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1126 -2.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4452 0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2371 2.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7335 -3.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7245 -3.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8047 0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 1.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3392 -0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2630 -1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7218 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9565 -1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5976 2.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3808 -1.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4141 1.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0731 -0.3222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 1.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7870 1.8150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7431 -0.7152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4291 -1.4491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 2.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1598 -3.3914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4985 -4.2002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3072 -3.8615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 -3.8714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1038 -3.9825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2149 -3.1128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1903 0.8627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4595 -0.8917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0258 -1.6292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8358 -1.2937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5003 -0.4836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2946 0.0129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9591 0.8229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1490 0.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3837 -1.3604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7192 -2.1704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5293 -1.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4933 3.7486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6245 3.8664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5067 2.9975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 13 2 1 1 0 0 0 2 20 1 0 0 0 0 3 17 1 0 0 0 0 3 20 1 0 0 0 0 4 19 1 0 0 0 0 4 27 1 0 0 0 0 5 19 2 0 0 0 0 6 21 1 0 0 0 0 6 48 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 31 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 10 15 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 1 0 0 0 12 15 1 0 0 0 0 12 34 1 1 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 6 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 18 2 0 0 0 0 16 21 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 22 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 2 0 0 0 0 22 26 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 M END > 10694761 > 1 > 812 > 9 > 1 > 4 > AAADceB7PAAAAAAAAAAAAAAAFgAAAAAAAAA8WJEABYAWAACxAAAAHgAECAAADWzhmAYyzoMQBgCIAiTSWACCAAAlIgAgiAEObMgaZjLC9Zu/cQhnxhnc+Yf+2POOwAABQgAKAACAAAKEABQAAAAAAAAAAA== > O16-tert-butyl O10-methyl (1S,6R,15S,17S)-8-hydroxy-3,3-dimethyl-2,4,18-trioxa-13,16-diazapentacyclo[11.4.1.01,6.07,12.015,17]octadeca-7(12),8,10-triene-10,16-dicarboxylate > (1S,6R,15S,17S)-8-hydroxy-3,3-dimethyl-2,4,18-trioxa-13,16-diazapentacyclo[11.4.1.01,6.07,12.015,17]octadeca-7(12),8,10-triene-10,16-dicarboxylic acid O16-tert-butyl ester O10-methyl ester > 16-O-tert-butyl 10-O-methyl (1S,6R,15S,17S)-8-hydroxy-3,3-dimethyl-2,4,18-trioxa-13,16-diazapentacyclo[11.4.1.01,6.07,12.015,17]octadeca-7(12),8,10-triene-10,16-dicarboxylate > 16-O-tert-butyl 10-O-methyl (1S,6R,15S,17S)-8-hydroxy-3,3-dimethyl-2,4,18-trioxa-13,16-diazapentacyclo[11.4.1.01,6.07,12.015,17]octadeca-7(12),8,10-triene-10,16-dicarboxylate > O16-tert-butyl O10-methyl (1S,6R,15S,17S)-3,3-dimethyl-8-oxidanyl-2,4,18-trioxa-13,16-diazapentacyclo[11.4.1.01,6.07,12.015,17]octadeca-7(12),8,10-triene-10,16-dicarboxylate > (1S,6R,15S,17S)-8-hydroxy-3,3-dimethyl-2,4,18-trioxa-13,16-diazapentacyclo[11.4.1.01,6.07,12.015,17]octadeca-7(12),8,10-triene-10,16-dicarboxylic acid O16-tert-butyl ester O10-methyl ester > InChI=1S/C22H28N2O8/c1-20(2,3)30-19(27)24-14-9-23-13-7-11(18(26)28-6)8-15(25)16(13)12-10-29-21(4,5)31-22(12,32-23)17(14)24/h7-8,12,14,17,25H,9-10H2,1-6H3/t12-,14-,17-,22-,24?/m0/s1 > OLFCHWGHXMYDFZ-FLRIASGESA-N > 2.2 > 448.18456586 > C22H28N2O8 > 448.5 > CC1(OCC2C3=C(C=C(C=C3O)C(=O)OC)N4CC5C(C2(O1)O4)N5C(=O)OC(C)(C)C)C > CC1(OC[C@H]2C3=C(C=C(C=C3O)C(=O)OC)N4C[C@H]5[C@@H]([C@@]2(O1)O4)N5C(=O)OC(C)(C)C)C > 107 > 448.18456586 > 0 > 32 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 33 5 12 34 5 14 35 6 16 18 8 16 21 8 18 22 8 13 2 5 21 25 8 22 26 8 25 26 8 $$$$