6918155 -OEChem-10051719353D 83 88 0 1 0 0 0 0 0999 V2000 1.6181 -0.9839 0.0617 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5807 -2.3726 1.9506 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5294 3.1989 0.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4964 0.4367 2.3038 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5226 1.6327 0.0417 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1054 0.0497 -2.5889 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2568 3.1259 -1.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2136 0.7753 1.0828 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8888 -0.2761 1.3441 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3026 0.3198 1.3804 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4653 -0.1311 1.1926 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6055 0.9857 -0.0090 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1579 -1.0749 2.3602 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3719 -1.0428 2.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0535 1.3837 -0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4755 1.9679 -0.4551 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0848 1.5347 -0.0924 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3366 -0.7725 1.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2801 1.8818 2.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -2.2653 0.5822 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7670 0.6033 1.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7692 -0.2605 1.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0187 0.3784 0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 2.7129 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2765 -3.3556 -0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3746 2.0400 -1.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1221 1.5506 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9828 -0.0946 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 -3.2739 -1.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -4.7434 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3318 1.5726 -2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2135 0.4766 -1.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0605 -4.3875 -2.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9479 -5.8545 -0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -5.7648 -1.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9732 2.4657 -0.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4905 2.4398 -1.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9510 1.3284 -1.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0384 3.7927 -1.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8876 -0.9984 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3643 1.0746 2.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5503 0.1627 -0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6535 -0.8284 3.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6203 -0.5019 3.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8039 -2.0466 2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0725 0.6173 -1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 2.1779 -0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6163 2.2111 -1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1617 -1.1619 2.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2145 -1.6189 1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6339 1.4990 3.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 2.6855 1.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6868 2.3492 2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0566 -2.3713 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 -1.0978 1.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9595 0.4637 2.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0241 2.5295 1.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4573 2.9098 0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9185 3.6468 0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1903 -3.1975 -0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7727 2.8667 -1.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8549 3.7894 -0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7217 2.5405 0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 1.1769 -0.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6194 -0.9220 -0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4046 -2.3075 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7884 -3.3418 -1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6685 -4.8993 0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2103 -4.8220 1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4909 1.9906 -3.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0253 -4.2367 -2.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4298 -4.3359 -3.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -6.8305 -0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1444 -5.7890 -0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8347 -6.5329 -2.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -5.9739 -2.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8674 2.2474 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5736 0.3562 -1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 1.4887 -2.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0438 1.2739 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7176 4.0391 -2.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6839 4.5920 -0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1332 3.7954 -1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 20 1 0 0 0 0 2 13 1 0 0 0 0 2 20 1 0 0 0 0 3 16 1 0 0 0 0 3 62 1 0 0 0 0 4 21 2 0 0 0 0 5 27 1 0 0 0 0 5 36 1 0 0 0 0 6 32 2 0 0 0 0 7 36 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 41 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 26 1 0 0 0 0 18 22 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 25 1 0 0 0 0 20 54 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 28 2 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 25 60 1 0 0 0 0 26 31 2 0 0 0 0 26 61 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 32 1 0 0 0 0 28 65 1 0 0 0 0 29 33 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 34 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 32 1 0 0 0 0 31 70 1 0 0 0 0 33 35 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 35 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 39 83 1 0 0 0 0 M END > DB01410 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LUKZNWIVRBCLON-GXOBDPJESA-N/SDF?record_type=3d > [H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@@H](O2)C1CCCCC1)C(=O)COC(=O)C(C)C > InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29+,30-,31-,32+/m0/s1 > LUKZNWIVRBCLON-GXOBDPJESA-N > C32H44O7 > 540.697 > 540.308703757 > 6 > 83 > 60.18034712057435 > 0 > 1 > 0 > 0 > 2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-14,17-dien-8-yl]-2-oxoethyl 2-methylpropanoate > 4.08 > 5.323272522666668 > -5.54 > 1 > 6 > 0 > 15.562094998808284 > 14.778522590506018 > -2.851415363085546 > 99.13000000000002 > 146.2789 > 6 > 0 > 1.57e-03 g/l > ciclesonide > 0 $$$$