236702 -OEChem-09011819223D 62 65 0 1 0 0 0 0 0999 V2000 1.9912 0.2137 1.2545 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 -0.4514 1.6352 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 1.9187 -1.7219 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2151 -0.4744 -1.2108 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2884 1.6439 0.0462 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8073 0.7139 1.8442 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5126 0.2400 1.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -0.1421 -0.4569 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0513 -1.2462 -0.0585 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3550 -1.0339 -0.6403 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9222 0.3334 -0.1250 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3328 -0.7029 0.2346 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7918 -2.5444 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5155 1.1925 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -2.2283 -0.0822 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9260 1.5074 -0.3638 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4079 0.5768 -0.6038 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2785 -2.2025 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2817 -0.0417 -1.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7157 -1.9812 -0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2274 -0.6555 -0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6043 -0.0540 -0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8419 -3.1379 1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5548 0.7698 -2.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9657 1.8398 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3132 -0.6054 0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0822 1.1357 0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0455 1.8961 0.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 0.6726 1.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4450 1.1081 0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6382 1.7396 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0639 -1.2330 1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2963 -1.0182 -1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6677 -2.8161 -1.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4131 -3.3795 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4809 1.1805 1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1766 2.0134 -0.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8408 -2.4542 -0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2439 2.3694 0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9114 -3.1357 -0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2609 -2.3431 0.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -0.9251 -2.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 0.8235 -2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3543 0.0720 -2.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7729 -2.0108 -1.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3338 -2.8123 -0.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2698 -3.0535 1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8853 -2.8859 1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8068 -4.1852 0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9797 0.0381 -2.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2434 1.7652 -2.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6032 0.6660 -2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1466 0.4887 1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 2.7788 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4067 2.7565 -1.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8631 -1.4999 0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3419 1.9358 0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2174 0.8819 1.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3947 2.8355 1.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6161 1.5497 -1.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6446 2.8135 0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5514 1.3012 0.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 53 1 0 0 0 0 3 16 1 0 0 0 0 3 55 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 32 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 33 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 34 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 23 1 0 0 0 0 15 38 1 0 0 0 0 16 39 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 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 26 2 0 0 0 0 22 27 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 28 2 0 0 0 0 25 54 1 0 0 0 0 26 29 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 30 31 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 M END > DB14649 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AKUJBENLRBOFTD-RPRRAYFGSA-N/SDF?record_type=3d > [H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C > InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1 > AKUJBENLRBOFTD-RPRRAYFGSA-N > C24H31FO6 > 434.4977 > 434.210466929 > 5 > 62 > 45.015772852840634 > 1 > 2 > 0 > 1 > 2-[(1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate > 2.60 > 2.1226950899999997 > -4.42 > 0 > 4 > 0 > 13.674194159358361 > 12.442553963928646 > -3.393377246729462 > 100.9 > 111.64439999999998 > 4 > 1 > 1.64e-02 g/l > decadron-LA > 0 $$$$