5311167 -OEChem-10051719183D 56 59 0 1 0 0 0 0 0999 V2000 -5.6794 -2.7125 0.1519 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2569 -0.4027 -1.2986 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 3.0211 0.2190 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0626 -0.0549 -2.0211 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0251 1.6626 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2108 0.1869 0.5857 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1199 -0.7196 -1.4886 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9295 -0.1096 0.1528 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9455 1.0189 -0.2268 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4164 0.9015 0.4744 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0831 -0.4598 0.0756 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1878 0.3454 -0.6501 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7746 2.2821 -0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2903 -1.4433 -0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1617 1.9064 -0.5988 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1234 -1.6679 0.2954 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5356 -0.6085 0.6801 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3170 2.0896 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2622 -0.1481 1.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7202 1.9600 0.6733 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3333 0.6400 0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4657 -0.3295 -0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2793 2.5857 0.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5729 -0.7096 2.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1939 -1.8765 0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4801 0.5946 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7513 -1.6522 -0.9191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3341 -1.9252 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -0.6872 -0.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7362 0.9645 -1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 0.9350 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8306 2.5506 1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3528 3.1406 -0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2005 -1.4770 -1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9376 -2.2774 0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2088 2.3032 -1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5351 -2.5409 -0.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8804 3.0293 0.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 2.1905 -0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8617 -1.0342 1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3768 -0.1807 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8356 0.7222 1.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6949 2.0497 1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1245 3.6716 0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2576 2.4131 -0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3008 2.2952 1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2327 -1.6866 2.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5953 -0.5839 2.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9538 0.0487 2.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4329 0.5300 -2.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7135 -2.8247 0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5521 -2.8236 1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0182 1.4940 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8405 -2.1949 -1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3353 -1.4766 -1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7532 -2.8682 -0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 11 1 0 0 0 0 3 20 1 0 0 0 0 4 12 1 0 0 0 0 4 50 1 0 0 0 0 5 16 1 0 0 0 0 5 52 1 0 0 0 0 6 22 2 0 0 0 0 7 29 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 30 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 31 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 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 23 1 0 0 0 0 15 36 1 0 0 0 0 16 37 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 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 26 2 0 0 0 0 22 27 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 28 2 0 0 0 0 25 51 1 0 0 0 0 26 29 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 M END > DB00596 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LEHFPXVYPMWYQD-XHIJKXOTSA-N/SDF?record_type=3d > [H][C@@]12C[C@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C > InChI=1S/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1 > LEHFPXVYPMWYQD-XHIJKXOTSA-N > C22H27ClF2O4 > 428.9 > 428.1565934 > 4 > 56 > 42.07486053904689 > 1 > 2 > 0 > 1 > (1R,2S,8S,10S,11S,13S,14R,15S,17S)-14-(2-chloroacetyl)-1,8-difluoro-14,17-dihydroxy-2,13,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-5-one > 2.93 > 2.696442242666668 > -4.29 > 0 > 4 > 0 > 13.576359290782555 > 12.462272228448185 > -3.3935064111638047 > 74.60000000000001 > 105.36729999999999 > 2 > 1 > 2.20e-02 g/l > ulobetasol > 0 $$$$