68921 -OEChem-07121816533D 69 72 0 1 0 0 0 0 0999 V2000 2.1516 1.1225 0.7972 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2962 -2.3125 -1.0786 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0056 0.5388 -1.8315 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8544 -1.4739 -0.1496 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2237 -0.1996 2.1132 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0789 2.3116 0.3554 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4165 -3.4646 0.9379 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6777 0.0715 -0.8666 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3330 1.2336 -0.7550 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7836 0.8166 -1.0408 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2033 -0.2843 -0.0132 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9940 0.8499 -0.5920 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2851 -0.9854 0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7224 -0.7094 -0.1513 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1790 -1.4599 0.0516 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2984 2.3347 -1.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8139 2.1819 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7192 2.0311 -0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -0.5590 -2.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5983 0.5508 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1767 1.6414 -1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0899 -1.5903 1.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0285 -1.4996 -1.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2334 0.0997 -0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5874 -1.7429 1.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7091 0.7100 0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2368 -0.3891 1.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4716 -1.2155 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2469 1.8709 1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 2.0691 2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4697 2.8780 3.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1990 -2.6429 0.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6901 -2.7832 0.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 1.6071 0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8641 0.4237 -2.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1221 0.2046 0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4087 -0.5768 1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9361 -1.8612 0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4037 -2.0764 0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0676 2.2036 -2.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0519 3.3294 -1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 2.1963 -2.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1468 3.0669 -0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4534 2.7779 -1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5975 2.5152 0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2528 -0.8179 -2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -1.4803 -2.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1845 0.1112 -3.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3311 1.2957 -2.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7989 2.5371 -1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6633 -1.1453 1.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 -2.5887 0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1071 -1.5523 -1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6797 -2.5351 -1.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5701 -1.0437 -2.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0617 -2.2945 0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7639 -2.2932 2.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6783 -3.0533 -0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2967 1.6212 0.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 -2.0139 -0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0466 -1.1816 0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2914 1.0843 3.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3482 2.5881 2.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4706 3.8721 2.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4574 3.0029 4.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 2.3805 2.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1197 -1.9511 1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -2.8120 -0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9489 -3.7176 1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 29 1 0 0 0 0 2 15 1 0 0 0 0 2 58 1 0 0 0 0 3 24 2 0 0 0 0 4 28 1 0 0 0 0 4 32 1 0 0 0 0 5 27 2 0 0 0 0 6 29 2 0 0 0 0 7 32 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 35 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 36 1 0 0 0 0 12 17 1 0 0 0 0 12 24 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 20 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 21 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 26 2 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 25 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 28 1 0 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 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 30 31 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 33 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 M END > DB14538 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MFBMYAOAMQLLPK-FZNHGJLXSA-N/SDF?record_type=3d > [H][C@@]12CC[C@](OC(=O)CC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C > InChI=1S/C26H36O7/c1-5-22(31)33-26(21(30)14-32-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)23(18)20(29)13-25(19,26)4/h12,18-20,23,29H,5-11,13-14H2,1-4H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1 > MFBMYAOAMQLLPK-FZNHGJLXSA-N > C26H36O7 > 460.567 > 460.246103499 > 5 > 69 > 49.743837536481195 > 1 > 1 > 0 > 1 > (1R,3aS,3bS,9aR,9bS,10S,11aS)-1-[2-(acetyloxy)acetyl]-10-hydroxy-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 propanoate > 3.26 > 2.857953102333333 > -4.94 > 1 > 4 > 0 > 15.677015607884641 > 14.812613479526789 > -2.846882981106078 > 106.97 > 120.32989999999997 > 7 > 1 > 5.26e-03 g/l > hydrocortisone aceponate > 0 $$$$