71219384 -OEChem-05072412162D 58 61 0 1 0 0 0 0 0999 V2000 15.1755 2.6640 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3198 1.6806 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.1304 -0.8540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2644 -2.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -1.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -2.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 0.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 -1.3540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1304 -0.8540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2644 -1.3540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6304 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1304 0.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 -0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1304 -1.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -0.8540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8003 -1.3540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1304 0.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6304 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 0.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6373 1.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6719 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6789 1.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1997 0.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -0.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7275 -1.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1555 0.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1555 -0.3865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2381 1.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5478 1.0901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7969 -0.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9998 -0.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5104 -1.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1304 -2.4740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7504 -1.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -1.7040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3372 -1.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0649 -0.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2678 -0.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5449 0.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1463 0.7286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 -1.9740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4668 1.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6697 1.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8013 -2.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3211 2.3213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9757 -0.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3372 -2.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8197 0.8916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -2.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 -1.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 28 1 0 0 0 0 3 9 1 0 0 0 0 3 20 1 0 0 0 0 10 4 1 1 0 0 0 4 51 1 0 0 0 0 5 15 1 0 0 0 0 5 23 1 0 0 0 0 16 6 1 6 0 0 0 6 54 1 0 0 0 0 7 30 1 0 0 0 0 7 58 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 14 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 17 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 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 6 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 17 20 2 0 0 0 0 17 24 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 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 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 26 2 0 0 0 0 24 52 1 0 0 0 0 25 27 2 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 27 55 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 31 57 1 0 0 0 0 M END > 71219384 > 1 > 600 > 8 > 4 > 6 > AAADceB6OYAAAAAAAAAAAAAAAAAAAAAAAAA0aIEAAAAAAACRQAAAHwAQCAAADFThmA4yBoLABgCAAiBCAAACCAAgIAAIiIAOCIgPNiKGsRqGeCCm0BGbuAfQwPAOAQABAAAIAAACAAIAABAAAAAAAAAAAA== > (2S)-5-fluoro-2-[(1S)-2-[[(2S)-2-[(2R)-6-fluoro-2-methyl-chroman-2-yl]-2-hydroxy-ethyl]amino]-1-hydroxy-ethyl]chroman-6-ol > (2S)-5-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-6-ol > (2S)-5-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-6-ol > (2S)-5-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-6-ol > (2S)-5-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-6-ol > (2S)-5-fluoro-2-[(1S)-2-[[(2S)-2-[(2R)-6-fluoro-2-methyl-chroman-2-yl]-2-hydroxy-ethyl]amino]-1-hydroxy-ethyl]chroman-6-ol > InChI=1S/C23H27F2NO5/c1-23(9-8-13-10-14(24)2-5-18(13)31-23)21(29)12-26-11-17(28)20-6-3-15-19(30-20)7-4-16(27)22(15)25/h2,4-5,7,10,17,20-21,26-29H,3,6,8-9,11-12H2,1H3/t17-,20-,21-,23+/m0/s1 > OVFKONYVYYNIDO-RBPBXQJFSA-N > 2.8 > 435.18572929 > C23H27F2NO5 > 435.5 > CC1(CCC2=C(O1)C=CC(=C2)F)C(CNCC(C3CCC4=C(O3)C=CC(=C4F)O)O)O > C[C@@]1(CCC2=C(O1)C=CC(=C2)F)[C@H](CNC[C@@H]([C@@H]3CCC4=C(O3)C=CC(=C4F)O)O)O > 91.2 > 435.18572929 > 0 > 31 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 42 6 17 20 8 17 24 8 20 25 8 22 23 8 22 28 8 23 29 8 24 26 8 25 27 8 26 27 8 28 30 8 29 31 8 30 31 8 10 4 5 16 6 6 9 14 6 $$$$