443980 -OEChem-10051722113D 71 74 0 1 0 0 0 0 0999 V2000 -2.3287 0.4898 -1.2008 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 -2.2351 -0.0966 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 -1.0750 -1.6682 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9919 1.5689 1.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6865 -2.1697 0.6753 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9085 0.2011 -0.0223 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8593 2.1658 -1.7964 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8703 2.5011 -0.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5036 -0.7504 0.4587 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7220 -1.5325 -0.0612 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0559 -1.0666 0.5449 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2803 0.4422 0.1857 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6264 -1.5039 -0.3175 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3103 -2.9960 0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3026 0.7328 0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2154 -3.0033 -0.1933 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0467 1.3220 0.5545 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6885 0.9715 0.6692 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2109 -1.9377 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 -0.8927 1.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5731 -1.4389 0.4828 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7540 0.0134 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0066 -1.2561 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5668 -3.8681 -1.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8424 1.0273 2.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9116 2.3915 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7655 0.4050 -0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 0.1711 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9157 2.7845 -0.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9236 1.8149 -1.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4888 1.4452 -0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0076 1.3387 -0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3244 0.5679 -1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6124 2.7486 -0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6124 0.6226 0.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8021 -1.3628 -1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0242 -1.1838 1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5053 -3.3524 1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8666 -3.6443 -0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3444 0.8478 -1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 1.3428 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -3.4684 0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 2.2962 0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 -2.9747 0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1931 -1.9776 -1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9982 -1.9079 2.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -0.2272 2.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1774 -0.6460 2.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6816 -1.5700 1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0491 -3.5308 -2.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6446 -3.8551 -1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2733 -4.9083 -1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8933 1.1672 2.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4963 0.1134 2.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2936 1.8646 2.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4233 -1.6109 -2.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2135 3.1569 0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2446 2.1678 2.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4994 -0.2960 -1.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2378 0.6741 1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0556 0.6927 -0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0207 3.8185 -0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4039 0.5260 -1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9567 -0.4635 -1.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8521 1.0416 -2.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1987 3.2986 -1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7003 2.7070 -0.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4016 3.3364 0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 1.1376 1.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2455 -0.4066 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7051 0.5799 0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 21 1 0 0 0 0 3 13 1 0 0 0 0 3 56 1 0 0 0 0 4 17 1 0 0 0 0 4 58 1 0 0 0 0 5 23 2 0 0 0 0 6 28 1 0 0 0 0 6 31 1 0 0 0 0 7 30 2 0 0 0 0 8 31 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 37 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 24 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 22 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 27 2 0 0 0 0 23 28 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 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 29 2 0 0 0 0 26 57 1 0 0 0 0 27 30 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 M END > DBSALT001004 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JWRMHDSINXPDHB-OJAGFMMFSA-N/SDF?record_type=3d > [H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)C(C)(C)C)[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/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,24+,25+,26+,27+/m1/s1 > JWRMHDSINXPDHB-OJAGFMMFSA-N > C27H36F2O6 > 494.576 > 494.247995205 > 5 > 71 > 50.91294125992518 > 1 > 2 > 0 > 0 > 2-[(1R,2S,8S,10S,11S,13R,14R,15S,17S)-1,8-difluoro-14,17-dihydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl 2,2-dimethylpropanoate > 3.21 > 3.5825122243333354 > -4.67 > 0 > 4 > 0 > 13.58624084408395 > 12.435034568504364 > -3.3935068661144365 > 100.9 > 125.17019999999998 > 5 > 1 > 1.07e-02 g/l > flumethasone pivalate > 0 $$$$