5282494 -OEChem-07121817223D 70 73 0 1 0 0 0 0 0999 V2000 2.4768 -0.2431 -0.0711 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 2.2239 -1.5478 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7994 2.6818 0.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 2.4205 -2.1353 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7077 -2.8342 -0.6257 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5532 -0.0082 0.9068 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6027 1.3397 0.0964 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0925 0.4567 1.1553 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6242 0.5725 1.1430 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1512 0.1391 -0.2636 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0862 1.0287 0.4378 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1152 0.8701 -1.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7322 0.1183 -0.3501 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4235 0.8824 -1.4271 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6616 0.7857 2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1206 0.9922 1.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2356 -0.3146 2.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3319 2.8575 0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2918 -0.6679 0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7561 -0.2913 2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1327 -0.5804 -1.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3723 1.5244 -0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0614 1.9992 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5860 -1.0250 -1.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2338 -1.6206 0.7433 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8883 -1.9210 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0802 2.0857 -1.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7482 -0.6444 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0019 -2.0045 -0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4154 -2.5068 -0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6423 -3.8986 -0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0351 -4.4178 -0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1371 -0.5988 0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9209 1.6060 1.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8359 -0.9128 -0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5339 1.5019 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4562 -0.1542 -1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6703 0.3861 -2.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 1.6968 2.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5885 -0.0224 3.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7143 0.1749 2.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4912 1.9214 2.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 -1.3484 2.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 0.0260 3.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6932 3.4374 -0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7285 3.0917 0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8261 3.2613 1.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1365 -0.9640 2.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1148 0.7120 2.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5037 -1.4691 -1.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9445 0.0802 -2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9375 2.1553 0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2650 2.0509 -1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4499 1.4702 -0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7644 -1.5872 -2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2737 -0.1738 -1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 2.6183 -2.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5969 -2.1619 1.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8068 1.1355 -2.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3897 2.8651 -1.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8515 -1.9278 -1.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2672 -2.7036 0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9632 1.6825 -1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1498 -1.8040 -0.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5815 -2.5341 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8992 -4.5983 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5079 -3.8689 -1.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1765 -5.4135 -0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1885 -4.4915 0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8039 -3.7564 -0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 28 1 0 0 0 0 2 14 1 0 0 0 0 2 57 1 0 0 0 0 3 23 2 0 0 0 0 4 27 1 0 0 0 0 4 63 1 0 0 0 0 5 26 2 0 0 0 0 6 28 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 34 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 35 1 0 0 0 0 11 16 1 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 24 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 27 1 0 0 0 0 24 26 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 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 29 30 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 31 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 M END > DB14544 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FZCHYNWYXKICIO-FZNHGJLXSA-N/SDF?record_type=3d > [H][C@@]12CC[C@](OC(=O)CCCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C > InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1 > FZCHYNWYXKICIO-FZNHGJLXSA-N > C26H38O6 > 446.5763 > 446.266838948 > 5 > 70 > 50.077216478421136 > 1 > 2 > 0 > 1 > (1R,3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl pentanoate > 3.62 > 3.305965022000001 > -4.77 > 1 > 4 > 0 > 14.92273195506193 > 13.751424125033385 > -2.8468829790940493 > 100.89999999999999 > 120.38039999999998 > 7 > 1 > 7.63e-03 g/l > hydrocortisone 17-valerate > 0 $$$$