223253 -OEChem-07121817113D 77 81 0 1 0 0 0 0 0999 V2000 0.2708 -1.5085 -1.9154 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1331 1.3325 1.7389 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0284 -2.4422 0.8776 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7135 -0.5888 -0.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4229 2.4131 -1.2706 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2884 1.1630 -1.4812 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8639 -1.0551 0.2182 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1472 -1.7570 -0.2765 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4337 -1.1998 0.3513 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5508 0.3185 -0.0028 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1974 -1.8940 -0.5461 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9664 0.4312 -0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 0.9680 0.5073 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2514 1.1118 0.3406 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8270 -3.2399 -0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3264 -3.3456 -0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6586 -1.9661 -0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6369 -1.1994 1.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0808 0.0881 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9596 -1.3874 0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0278 2.3820 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9815 1.1032 2.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5932 -1.7262 -0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4320 2.9600 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1973 0.5583 -0.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4180 2.0120 -0.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4227 -0.6340 -0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5656 0.3667 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8969 0.2820 0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2183 1.2327 0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8961 1.3054 -0.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2663 2.2004 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9161 -0.1161 0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5826 1.6626 0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3608 0.1688 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2387 -1.5894 -1.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4007 -1.3260 1.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6066 0.3477 -1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9594 0.5308 -1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 0.9753 0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3079 2.1019 -0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0102 -3.5759 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 -3.8681 -0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1723 -3.9405 0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2036 -3.8793 -1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5971 -3.0200 0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6742 -1.9460 -1.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4199 -2.2301 2.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2094 -0.5834 2.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5009 -0.8936 2.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0122 -1.5420 1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7977 -1.9495 -0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7387 2.3325 -1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3341 3.0849 0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3706 1.9322 2.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0064 1.3074 2.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6566 0.1930 2.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7724 -2.1870 -2.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7393 3.1545 0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4603 3.9076 -0.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3401 1.8747 1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0055 -0.0980 -0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -0.8446 -1.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9271 0.3279 -0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7228 0.4522 1.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2766 -0.7349 -0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0538 1.4426 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0510 1.1408 -1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4788 2.3156 -0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2894 2.1804 -1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0820 3.2328 0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4764 -0.8922 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8823 -0.4672 -0.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8309 2.1592 1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4099 1.8445 -0.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0604 -0.4457 0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5178 -0.0610 1.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 58 1 0 0 0 0 2 14 1 0 0 0 0 2 61 1 0 0 0 0 3 23 2 0 0 0 0 4 27 1 0 0 0 0 4 28 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 36 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 37 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 38 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 39 1 0 0 0 0 12 40 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 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 20 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 24 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 27 1 0 0 0 0 24 26 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 29 1 0 0 0 0 29 31 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 30 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 34 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 35 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 35 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 M END > DB14541 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DLVOSEUFIRPIRM-KAQKJVHQSA-N/SDF?record_type=3d > [H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC3CCCC3)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C > InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1 > DLVOSEUFIRPIRM-KAQKJVHQSA-N > C29H42O6 > 486.649 > 486.298139072 > 5 > 77 > 54.75671163572724 > 1 > 2 > 0 > 0 > 2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-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]-2-oxoethyl 3-cyclopentylpropanoate > 4.53 > 4.0183955456666665 > -5.17 > 1 > 5 > 0 > 14.879817300758589 > 12.612718275404411 > -2.846864233899476 > 100.9 > 132.32879999999997 > 7 > 1 > 3.26e-03 g/l > hydrocortisone cypionate > 0 $$$$