71219156 -OEChem-04242415432D 78 80 0 1 0 0 0 0 0999 V2000 2.9013 -2.3812 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6769 2.0070 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2652 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6801 3.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5461 -0.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4121 0.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 -0.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 0.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3794 -3.0393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8141 2.4552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6801 0.9553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8141 1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6801 2.9552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5461 2.4552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9480 2.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5461 1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6801 -0.0447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3500 2.4552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0820 2.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 2.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5461 0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 1.4552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4121 2.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8141 -0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 2.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0911 3.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 -0.0447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4839 0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 -0.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 -0.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 -2.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5704 -1.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -3.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -4.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8141 3.3052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2035 1.5629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6020 0.8726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2170 3.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 2.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3466 3.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5495 3.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6801 -0.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6835 1.9803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4805 1.9803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6145 3.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8175 3.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2361 -0.0817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 0.1453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8561 0.9922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 0.8353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7221 2.4183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9491 3.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1021 3.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4155 -1.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2126 -1.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8266 0.8476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 1.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6461 3.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8762 3.0697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 3.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 4.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4923 3.2607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2170 4.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 -0.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1739 1.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 0.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7939 0.4183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5461 -1.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7939 0.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 0.2653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1739 -0.5817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8869 -1.8548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4415 -1.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9513 -4.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 -4.3107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 26 1 0 0 0 0 3 37 1 0 0 0 0 13 4 1 6 0 0 0 4 66 1 0 0 0 0 17 5 1 1 0 0 0 5 71 1 0 0 0 0 6 16 2 0 0 0 0 7 28 1 0 0 0 0 7 30 1 0 0 0 0 8 30 2 0 0 0 0 9 34 1 0 0 0 0 9 36 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 38 1 6 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 21 1 6 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 1 0 0 0 14 42 1 0 0 0 0 15 19 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 17 24 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 26 1 1 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 25 1 0 0 0 0 22 29 1 6 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 30 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 28 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 31 1 6 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 34 1 0 0 0 0 33 75 1 0 0 0 0 34 35 2 0 0 0 0 35 76 1 0 0 0 0 36 37 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 M END > 71219156 > 1 > 858 > 9 > 2 > 4 > AAADcfB6OYBAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABgAAAHwQACAAADxyl1gKiiRIIFgisA6TyTACC8KBhCjgAiBUQIBgIFBagIQACUAAFoACooAeI7uTvgAAAAAAAAABAAAQAABAAAAAAAAAAAA== > (1R,2S,6S,8S,9S,13R,14S,15R)-9-(fluoromethyl)-6-[(E)-2-[2-(fluoromethyl)thiazol-4-yl]-1-methyl-vinyl]-2,14-dihydroxy-1,8,9,15-tetramethyl-5-oxabicyclo[11.3.1]heptadecane-4,16-dione > (1R,2S,6S,8S,9S,13R,14S,15R)-9-(fluoromethyl)-6-[(E)-1-[2-(fluoromethyl)-4-thiazolyl]prop-1-en-2-yl]-2,14-dihydroxy-1,8,9,15-tetramethyl-5-oxabicyclo[11.3.1]heptadecane-4,16-dione > (1R,2S,6S,8S,9S,13R,14S,15R)-9-(fluoromethyl)-6-[(E)-1-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-2,14-dihydroxy-1,8,9,15-tetramethyl-5-oxabicyclo[11.3.1]heptadecane-4,16-dione > (1R,2S,6S,8S,9S,13R,14S,15R)-9-(fluoromethyl)-6-[(E)-1-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-2,14-dihydroxy-1,8,9,15-tetramethyl-5-oxabicyclo[11.3.1]heptadecane-4,16-dione > (1R,2S,6S,8S,9S,13R,14S,15R)-9-(fluoranylmethyl)-6-[(E)-1-[2-(fluoranylmethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-1,8,9,15-tetramethyl-2,14-bis(oxidanyl)-5-oxabicyclo[11.3.1]heptadecane-4,16-dione > (1R,2S,6S,8S,9S,13R,14S,15R)-9-(fluoromethyl)-6-[(E)-2-[2-(fluoromethyl)thiazol-4-yl]-1-methyl-vinyl]-2,14-dihydroxy-1,8,9,15-tetramethyl-5-oxabicyclo[11.3.1]heptadecane-4,16-quinone > InChI=1S/C28H41F2NO5S/c1-16(9-20-14-37-23(13-29)31-20)21-10-17(2)27(4,15-30)8-6-7-19-12-28(5,22(32)11-24(33)36-21)26(35)18(3)25(19)34/h9,14,17-19,21-22,25,32,34H,6-8,10-13,15H2,1-5H3/b16-9+/t17-,18+,19+,21-,22-,25+,27+,28+/m0/s1 > SSIQNTWTGAODGB-CWVVGIMESA-N > 5.1 > 541.26735091 > C28H41F2NO5S > 541.7 > CC1CC(OC(=O)CC(C2(CC(CCCC1(C)CF)C(C(C2=O)C)O)C)O)C(=CC3=CSC(=N3)CF)C > C[C@H]1C[C@H](OC(=O)C[C@@H]([C@]2(C[C@@H](CCC[C@]1(C)CF)[C@@H]([C@H](C2=O)C)O)C)O)/C(=C/C3=CSC(=N3)CF)/C > 125 > 541.26735091 > 0 > 37 > 8 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 35 8 1 36 8 10 38 6 11 21 6 14 23 5 18 26 5 22 29 6 28 31 6 34 35 8 13 4 6 17 5 5 9 34 8 9 36 8 $$$$