443881 -OEChem-02212015463D 68 71 0 1 0 0 0 0 0999 V2000 -2.6664 -0.2007 -0.7456 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1372 -2.6723 0.8184 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9820 1.3263 -0.9994 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8377 -0.0594 0.0197 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8718 -1.5650 0.2223 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2618 -0.3256 0.9187 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2507 -0.4430 1.1277 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9416 -0.6080 -0.2572 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3705 -1.1686 0.2567 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2250 -1.6790 -1.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1565 -0.1270 2.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3099 -1.7561 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5628 -0.5343 1.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4852 -0.7645 -0.0990 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8258 0.7805 1.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6479 -2.8874 1.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3281 0.6266 2.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0622 0.3409 0.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -0.8141 -1.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3078 -2.3079 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6731 -0.6420 -1.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1819 1.0208 0.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1853 -2.9816 -1.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0091 0.6434 -0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9496 0.2760 -0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 1.3119 -1.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 2.4595 -1.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2263 3.2155 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2349 4.3764 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3971 5.1588 0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4213 0.5551 0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4705 -1.3212 1.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7596 0.3191 -0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5772 -2.5643 -1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4868 -0.8130 -1.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8416 -0.7601 2.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1434 0.9112 2.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6952 -1.7324 -2.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6133 -2.7227 -0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9868 -1.2308 2.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1888 0.3618 1.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6863 -1.7157 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 1.6932 1.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3462 0.9038 2.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0346 -3.7499 0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1426 -2.8835 1.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4091 -3.0956 1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5129 -0.2037 2.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7116 1.5314 2.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9528 -1.7698 -1.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7561 -0.0239 -2.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1403 -1.4730 -0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0931 -0.6060 -2.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5608 1.8133 1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1559 -3.4168 -1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -3.7860 -1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9323 -2.2719 -2.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1125 1.7055 -1.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9752 0.8054 -2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2456 3.1530 -2.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0646 2.0766 -1.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2499 3.5974 -0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0516 2.5390 0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2094 3.9943 -0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3835 5.0538 -1.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4035 5.5822 1.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2244 4.5173 1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6777 5.9828 1.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 25 1 0 0 0 0 2 20 2 0 0 0 0 3 24 2 0 0 0 0 4 25 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 32 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 33 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 22 2 0 0 0 0 19 21 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 M END > DB14677 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XURCMZMFZXXQDJ-UKNJCJGYSA-N/SDF?record_type=3d > [H][C@@]12CC[C@](OC(=O)CCCCC)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] > InChI=1S/C26H38O4/c1-4-5-6-7-24(29)30-26(17(2)27)15-13-23-22-10-8-18-16-19(28)9-11-20(18)21(22)12-14-25(23,26)3/h16,20-23H,4-15H2,1-3H3/t20-,21+,22+,23-,25-,26-/m0/s1 > XURCMZMFZXXQDJ-UKNJCJGYSA-N > C26H38O4 > 414.586 > 414.277009704 > 3 > 68 > -2.2581713873175908e-11 > 48.55334318878889 > 1 > 0 > 0 > 1 > (1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-11a-methyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl hexanoate > 4.46 > 5.576499410000001 > -5.47 > 1 > 0 > 4 > 0 > 18.39086481653786 > 17.690737292011246 > -4.725921708120709 > 60.440000000000005 > 117.21159999999998 > 7 > 0 > 1.41e-03 g/l > nandrolone decanoate > 0 $$$$