224004 -OEChem-09011820023D 62 65 0 1 0 0 0 0 0999 V2000 4.2754 -0.6613 -0.1482 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5552 0.0090 0.9918 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7735 0.3752 1.2678 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -0.2334 0.1276 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3641 1.0673 -0.2991 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0613 1.0102 0.2605 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8547 -0.2058 -0.2564 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6167 -0.2339 -0.3655 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2922 1.0637 0.1844 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3235 -1.5155 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1451 -1.4774 0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1045 2.3224 0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2095 0.0729 0.4224 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0060 2.1834 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5652 2.3381 -0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3856 -1.4460 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4067 1.5919 0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0248 -0.2607 -1.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7855 1.1466 -0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6873 -0.3193 -1.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8992 -1.4305 -0.0292 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4970 -0.0874 0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5791 -2.5838 0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5241 -0.4160 0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5426 -1.2744 -0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9515 -1.0355 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1578 -0.2202 1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3116 1.1217 -1.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9673 0.9239 1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2175 1.0246 1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3527 -1.6898 -1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 -2.3897 0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1657 -1.5276 1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6679 -2.3721 -0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 3.2222 -0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0605 2.3827 1.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1445 -0.1733 1.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8054 3.0215 0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9208 2.5568 -1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0542 3.2168 0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6257 2.4609 -1.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2165 -1.4653 1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9787 -2.3851 -0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 1.8413 -0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8407 2.0275 1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5709 0.6035 -2.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5869 -1.1550 -2.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -0.2987 -2.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9787 1.2490 -1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2232 2.0210 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1053 0.4640 -2.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3107 -1.2818 -2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7095 -0.2282 -2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0919 -1.5583 -1.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6512 -2.6119 0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1495 -3.5455 0.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4710 -2.4831 1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 -2.3253 -0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5028 -1.0421 -1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0241 -1.2648 1.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6653 -1.6690 -0.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2489 0.0092 0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 24 1 0 0 0 0 2 22 2 0 0 0 0 3 24 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 29 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 17 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 21 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 22 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 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 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 M END > DB14655 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NOTIQUSPUUHHEH-UXOVVSIBSA-N/SDF?record_type=3d > [H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)[C@H](C)C[C@]12C > InChI=1S/C23H36O3/c1-5-21(25)26-20-9-8-17-16-7-6-15-12-19(24)14(2)13-23(15,4)18(16)10-11-22(17,20)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16+,17+,18+,20+,22+,23+/m1/s1 > NOTIQUSPUUHHEH-UXOVVSIBSA-N > C23H36O3 > 360.538 > 360.266445019 > 2 > 62 > 43.19417080232161 > 1 > 0 > 0 > 1 > (1S,3aS,3bR,5aS,8R,9aS,9bS,11aS)-8,9a,11a-trimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl propanoate > 4.76 > 5.095905168333333 > -5.76 > 0 > 4 > 0 > -6.886029402774802 > 43.370000000000005 > 101.95599999999997 > 3 > 0 > 6.31e-04 g/l > dromostanolone > 0 $$$$