5282493 -OEChem-10051722233D 70 73 0 1 0 0 0 0 0999 V2000 -2.4348 -0.5428 1.8213 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 2.3177 -0.0486 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9403 -1.6168 -1.7501 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5569 1.8404 -0.9236 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0523 -0.1506 0.0857 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1191 -2.0552 1.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4338 -1.9346 1.4871 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5449 0.7228 -0.3228 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6674 1.5430 0.1654 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0026 1.0605 -0.4248 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2719 -0.4487 -0.0343 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6581 1.4610 0.4638 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2227 2.9889 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3387 -0.7459 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2834 2.9636 0.3234 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0193 -1.3429 -0.3546 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6646 -0.9449 -0.6407 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1663 1.9831 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 0.8158 -1.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5082 1.4952 -0.5567 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7584 0.0474 -0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0423 1.1691 -0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5723 3.7355 1.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6978 -1.0009 -2.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9840 -2.3645 -0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8608 -0.3210 0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 0.0106 0.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0827 -2.7293 0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1029 -1.7292 0.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8103 -1.1747 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1857 -1.2409 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9307 0.0814 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0035 -2.3869 0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0103 -1.5065 -1.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7412 1.4348 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9275 1.1266 -1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 1.1835 1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3556 3.2936 -1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7944 3.6866 0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4089 -0.8252 1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1495 -1.3613 -0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8376 3.4565 -0.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1317 -2.3188 0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9944 2.9962 -0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 2.0959 1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0827 1.8218 -2.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6014 0.1390 -2.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0837 0.5482 -2.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5432 1.6195 -1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 3.6841 1.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3034 4.7906 1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0024 3.3347 2.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1552 -1.8636 -2.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7279 -1.0997 -2.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2801 -0.1054 -2.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2714 -3.1454 -0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2023 -2.2338 -1.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6160 0.3973 0.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1832 -0.9031 0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8383 0.2265 1.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2534 -3.7612 0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9425 0.0437 -0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4097 0.9234 -0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 0.3076 1.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1443 -2.2392 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9954 -2.4605 0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5003 -3.3515 0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4355 -2.4235 -1.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4724 -0.6891 -2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -1.6145 -2.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 20 1 0 0 0 0 3 16 1 0 0 0 0 3 57 1 0 0 0 0 4 22 2 0 0 0 0 5 27 1 0 0 0 0 5 30 1 0 0 0 0 6 29 2 0 0 0 0 7 30 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 36 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 23 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 21 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 26 2 0 0 0 0 22 27 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 28 2 0 0 0 0 25 56 1 0 0 0 0 26 29 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 M END > DBSALT001365 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SXYZQZLHAIHKKY-GSTUPEFVSA-N/SDF?record_type=3d > [H][C@@]12C[C@@H](C)[C@H](C(=O)COC(=O)C(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C > InChI=1S/C27H36ClFO5/c1-14-9-16-17-11-19(29)18-10-15(30)7-8-26(18,6)27(17,28)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1 > SXYZQZLHAIHKKY-GSTUPEFVSA-N > C27H36ClFO5 > 495.03 > 494.2235301 > 4 > 70 > 52.03697483698656 > 1 > 1 > 0 > 0 > 2-[(1R,2S,8S,10S,11S,13R,14S,15S,17S)-1-chloro-8-fluoro-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl 2,2-dimethylpropanoate > 4.17 > 4.715483699333334 > -5.68 > 0 > 4 > 0 > 14.857730388264574 > 13.80674506703912 > -3.2959354725531904 > 80.66999999999999 > 128.59029999999998 > 5 > 1 > 1.03e-03 g/l > clocortolone > 0 $$$$