441404 -OEChem-10272115313D 70 74 0 1 0 0 0 0 0999 V2000 2.7694 1.3491 0.2549 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0167 0.2921 -0.1584 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9732 2.2175 -1.5114 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4326 0.2144 -1.0676 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4269 0.5872 0.1556 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7158 -0.5288 -0.6838 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5662 0.3869 0.2524 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9369 -0.2714 0.6723 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3873 1.5460 1.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7335 0.9257 1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6239 1.2341 -0.5670 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5626 -0.4573 -2.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5307 -0.9158 -1.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8765 0.3090 -1.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6525 -0.8054 -0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8989 -0.6194 1.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8219 -1.6240 -1.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8105 0.8168 1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7364 -1.4486 1.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2778 0.4358 1.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9549 -0.6050 -0.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8394 0.0851 0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8944 1.8615 -0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0209 1.9171 0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 1.0568 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8225 -0.4071 0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9922 -1.3092 -0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3597 -1.0150 1.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5214 -2.7090 0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4618 -2.5190 1.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7444 1.1455 -1.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4527 -1.4531 -0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8207 1.2748 -0.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5876 2.4777 0.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1808 1.8286 1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5476 0.1258 2.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3011 1.6961 1.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3435 2.2355 -0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -0.3909 -3.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6903 -1.5184 -1.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9449 -1.5816 -2.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7634 -0.0222 -2.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7004 -0.3928 -1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1285 0.8961 -2.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5322 -1.3088 0.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4882 -0.2774 1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0685 -1.2075 1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5853 -2.5879 -1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3826 -1.8563 -2.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7492 1.7524 0.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4288 1.0425 2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3769 -1.1040 2.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6743 -1.9874 1.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0163 -2.1829 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8387 1.2882 1.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4252 -0.4139 2.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4235 -0.9879 -1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3279 2.9663 0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6582 1.6302 1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5928 1.4078 -0.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0187 1.1849 0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0340 -0.5343 -0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8891 -1.0512 0.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2451 -1.2380 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3396 -0.7255 1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0239 -0.7217 2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3552 -3.3273 0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0778 -3.2133 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5009 -2.9169 0.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7231 -3.0483 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 23 1 0 0 0 0 2 22 2 0 0 0 0 3 23 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 31 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 33 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 14 1 0 0 0 0 11 38 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 17 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 1 0 0 0 0 15 21 2 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 48 1 0 0 0 0 17 49 1 0 0 0 0 18 20 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 22 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 57 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 26 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 62 1 0 0 0 0 27 29 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 30 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 30 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 M END > DB13943 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HPFVBGJFAYZEBE-ZLQWOROUSA-N/SDF?record_type=3d > [H][C@@]12CC[C@H](OC(=O)CCC3CCCC3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C > InChI=1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1 > HPFVBGJFAYZEBE-ZLQWOROUSA-N > C27H40O3 > 412.614 > 412.297745148 > 2 > 70 > 1.5224846219545046e-05 > 49.83548032018206 > 1 > 0 > 0 > 0 > (1S,3aS,3bR,9aR,9bS,11aS)-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 3-cyclopentylpropanoate > 5.10 > 6.108652408666666 > -5.98 > 0 > 0 > 5 > 0 > 18.523795671295066 > -4.814863549745547 > 43.370000000000005 > 119.35859999999998 > 5 > 0 > 4.37e-04 g/l > testosterone cypionate > 0 $$$$