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-0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6049 -0.5143 1.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6522 2.2836 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2886 -0.1077 -0.6954 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9636 0.6005 1.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 1.1860 -0.0020 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9228 2.3441 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6642 -0.1129 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0141 0.7307 1.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0063 2.4386 -1.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0046 0.5308 0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2815 1.7212 -0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5629 -1.4521 0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9526 -2.3346 -1.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5812 -3.1118 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6782 -2.4877 0.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0481 -3.3990 -1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3751 -3.7501 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7480 2.3617 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5687 -3.9195 0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9795 2.8107 -0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7993 0.3089 -1.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6985 1.3039 1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5194 -0.2052 -1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7264 0.6116 -1.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6048 -1.2974 -1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1167 2.2044 -1.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1695 2.0792 0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 1.5369 -1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6882 -2.7268 0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3837 -2.0656 -1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0806 -1.3731 1.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6965 -2.1860 0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9134 3.1735 -0.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2005 2.2266 -1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1696 3.1658 0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4638 3.7346 -0.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5226 -1.2437 -0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0317 -1.3740 0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -0.7728 2.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2907 -1.2348 2.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7128 0.5096 2.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6254 2.8513 0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9447 3.0162 -0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 0.1195 -1.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2243 1.3187 2.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -0.3431 2.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9395 0.9530 2.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8434 1.0088 1.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3087 2.7344 0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0584 2.9511 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6285 -0.4443 -1.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5817 -0.9615 0.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9042 -0.3041 1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8713 1.0368 2.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 1.4802 1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2371 3.4896 -1.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6462 2.0099 -1.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8105 -0.2044 0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0291 0.8598 1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9460 2.4211 -0.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8246 1.3891 -1.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9211 -0.5846 1.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7002 -1.8532 1.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8024 -2.0784 -2.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0271 -2.7972 -0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -2.7430 2.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -2.0581 0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9533 -3.0322 -1.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7303 -4.3002 -1.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5235 -4.2737 0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2304 -4.4336 0.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4065 -3.7630 1.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4259 -4.9814 0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5855 -3.6351 0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5264 1.9415 -0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6272 3.3601 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7029 3.4751 -1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 34 1 0 0 0 0 2 25 1 0 0 0 0 2 38 1 0 0 0 0 3 34 2 0 0 0 0 4 38 2 0 0 0 0 5 12 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 23 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 41 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 43 1 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 19 1 0 0 0 0 15 22 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 23 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 25 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 25 1 0 0 0 0 23 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 68 1 0 0 0 0 26 29 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 30 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 29 31 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 31 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 32 35 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 33 36 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 34 39 1 0 0 0 0 35 37 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 36 37 1 0 0 0 0 36 88 1 0 0 0 0 36 89 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 38 40 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 39 94 1 0 0 0 0 40 95 1 0 0 0 0 40 96 1 0 0 0 0 40 97 1 0 0 0 0 M CHG 1 5 1 M END > DB01339 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BGSZAXLLHYERSY-XQIGCQGXSA-N/SDF?record_type=3d > [H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1 > InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1 > BGSZAXLLHYERSY-XQIGCQGXSA-N > C34H57N2O4 > 557.8274 > 557.431833322 > 3 > 97 > 1.9977579926368678 > 66.8639530767423 > 1 > 0 > 1 > 0 > 1-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-1,7-bis(acetyloxy)-9a,11a-dimethyl-8-(piperidin-1-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl]-1-methylpiperidin-1-ium > 2.07 > 0.8920891531949218 > -7.50 > 1 > 2 > 6 > 2 > 9.648388180869917 > 55.839999999999996 > 169.30839999999992 > 6 > 0 > 1.86e-05 g/l > biotin > 0 $$$$