16533 -OEChem-10051723023D 71 74 0 1 0 0 0 0 0999 V2000 1.9128 -1.1783 0.2016 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 -0.3236 0.1112 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8881 1.9393 1.9903 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8901 2.5241 -0.0343 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3060 1.8310 2.6014 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4965 -0.0134 -0.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4079 -3.0732 0.1752 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5665 1.3103 0.1661 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1638 0.6730 -1.0365 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6898 0.8453 -0.9847 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2383 0.1645 0.3166 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0477 1.0243 -0.2328 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5994 1.2284 -2.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0596 0.6002 1.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0823 1.1496 -1.7893 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4785 0.6405 1.5912 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8155 0.2131 0.3915 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3394 0.2426 -2.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3402 2.8434 0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8616 0.2830 -2.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3555 -0.3699 -0.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0664 1.8121 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8826 2.3129 -2.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3956 1.6368 0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3089 -0.5835 1.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1836 -1.4245 -0.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0174 1.6781 2.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1318 -1.6352 1.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6592 -0.7085 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6387 -2.1203 0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8617 -2.1445 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2679 -2.6456 -0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4434 -4.1094 0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8290 -4.6227 -0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0288 -0.4124 -1.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 1.9111 -0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2923 2.2563 -2.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4326 0.6315 -3.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3637 -0.4533 1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4895 1.0598 2.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4709 0.2313 -2.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7091 -0.0435 2.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0105 0.7909 -3.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0085 -0.7963 -2.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7189 3.2354 1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7128 3.1264 0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 3.4013 -0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2136 1.3200 -2.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2639 -0.2145 -3.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9618 2.1526 -2.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6091 3.2789 -1.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6791 2.3932 -3.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9247 2.3633 -0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2967 2.0193 1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4714 1.6508 0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9874 -0.2577 2.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4607 1.8413 2.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5382 -1.8171 -1.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3743 2.4530 2.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6601 0.6943 2.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4535 -2.1482 2.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 -2.7604 -0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 -2.2088 1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8502 1.0880 2.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0106 -2.0262 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4590 -2.5330 -1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2841 -4.2210 1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6917 -4.7272 -0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6053 -4.0453 0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0061 -4.5562 -1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9333 -5.6708 0.2138 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 29 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 64 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 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 23 1 0 0 0 0 15 41 1 0 0 0 0 16 42 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 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 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 30 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 30 1 0 0 0 0 28 61 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 M END > DBSALT000849 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SNHRLVCMMWUAJD-SUYDQAKGSA-N/SDF?record_type=3d > [H][C@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]([H])(O)C[C@]2(C)[C@@]1(OC(=O)CCCC)C(=O)CO > InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1 > SNHRLVCMMWUAJD-SUYDQAKGSA-N > C27H37FO6 > 476.585 > 476.257417074 > 5 > 71 > 51.22189819975123 > 1 > 2 > 0 > 0 > (1R,2S,10S,11S,13S,14R,15S,17S)-1-fluoro-17-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl pentanoate > 3.76 > 3.7123682669999996 > -4.85 > 1 > 4 > 0 > 14.016911195917508 > 13.40371288207707 > -3.3307819852944123 > 100.89999999999999 > 125.47329999999995 > 7 > 1 > 6.69e-03 g/l > betamethasone valerate > 0 $$$$