71219386 -OEChem-04252400592D 58 61 0 1 0 0 0 0 0999 V2000 14.6374 2.6640 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6701 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.5923 -0.8540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -2.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -2.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.3540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.8540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7263 -1.3540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0923 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 0.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.8540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5923 -1.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.3540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3961 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5923 0.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0923 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.6460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6641 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0991 1.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1338 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1407 1.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6616 0.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1893 -1.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6174 0.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6174 -0.3865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7000 1.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0097 1.0901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2588 -0.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4617 -0.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1323 -0.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9723 -1.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -2.4740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2123 -1.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 -1.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0067 0.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 0.7286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 -0.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7297 -0.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.9740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 0.9560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -2.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7830 2.3213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4376 -0.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 -2.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 1.3006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -2.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2816 0.8916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 1.9560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -1.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 30 1 0 0 0 0 3 9 1 0 0 0 0 3 20 1 0 0 0 0 4 14 1 0 0 0 0 4 23 1 0 0 0 0 10 5 1 1 0 0 0 5 50 1 0 0 0 0 16 6 1 6 0 0 0 6 53 1 0 0 0 0 21 7 1 6 0 0 0 7 57 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 6 0 0 0 10 13 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 19 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 6 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 29 1 0 0 0 0 24 27 2 0 0 0 0 24 51 1 0 0 0 0 25 28 2 0 0 0 0 25 52 1 0 0 0 0 26 30 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 28 56 1 0 0 0 0 29 31 2 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 31 58 1 0 0 0 0 M END > 71219386 > 1 > 600 > 8 > 4 > 6 > AAADceB6OYAAAAAAAAAAAAAAAAAAAAAAAAA0aIEAAAAAAACRQAAAHwAQCAAADFThmA4yBoLABgCAAiBCAAACCAAgIAAIiIAOCIgPNyKEsRqGeCCn0BGbuAfQ0PIOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA== > (2S,4R)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2R)-6-fluoro-2-methyl-chroman-2-yl]-2-hydroxy-ethyl]amino]-1-hydroxy-ethyl]chroman-4-ol > (2S,4R)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-1-benzopyran-4-ol > (2S,4R)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2R)-6-fluoro-2-methyl-3,4-dihydrochromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol > (2S,4R)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2R)-6-fluoro-2-methyl-3,4-dihydrochromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol > (2S,4R)-6-fluoranyl-2-[(1S)-2-[[(2S)-2-[(2R)-6-fluoranyl-2-methyl-3,4-dihydrochromen-2-yl]-2-oxidanyl-ethyl]amino]-1-oxidanyl-ethyl]-3,4-dihydro-2H-chromen-4-ol > (2S,4R)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2R)-6-fluoro-2-methyl-chroman-2-yl]-2-hydroxy-ethyl]amino]-1-hydroxy-ethyl]chroman-4-ol > InChI=1S/C23H27F2NO5/c1-23(7-6-13-8-14(24)2-4-19(13)31-23)22(29)12-26-11-18(28)21-10-17(27)16-9-15(25)3-5-20(16)30-21/h2-5,8-9,17-18,21-22,26-29H,6-7,10-12H2,1H3/t17-,18+,21+,22+,23-/m1/s1 > YKKKVKLTIKCBHA-KSPOJXDVSA-N > 2.1 > 435.18572929 > C23H27F2NO5 > 435.5 > CC1(CCC2=C(O1)C=CC(=C2)F)C(CNCC(C3CC(C4=C(O3)C=CC(=C4)F)O)O)O > C[C@@]1(CCC2=C(O1)C=CC(=C2)F)[C@H](CNC[C@@H]([C@@H]3C[C@H](C4=C(O3)C=CC(=C4)F)O)O)O > 91.2 > 435.18572929 > 0 > 31 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 39 6 19 20 8 19 24 8 20 25 8 22 23 8 22 26 8 23 29 8 24 27 8 25 28 8 26 30 8 27 28 8 29 31 8 30 31 8 10 5 5 16 6 6 21 7 6 9 15 6 $$$$