92850 -OEChem-05241817483D 73 76 0 1 0 0 0 0 0999 V2000 -7.8415 1.6547 0.3054 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8332 -1.1095 0.2031 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1329 -0.4398 -0.9959 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3928 -0.5723 -0.9577 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9361 0.0499 0.3616 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3067 -0.8410 -0.1889 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3639 -0.3868 1.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5072 -0.0973 0.4669 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8878 -0.9816 -2.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1668 -0.4412 1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3384 -1.1253 -1.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0296 0.1223 -2.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3676 -1.6149 0.5804 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5562 -2.6284 0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1788 0.2555 -0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0153 0.8806 1.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 0.3602 -2.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9128 -1.5437 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6737 0.4950 -0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 1.0579 1.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 -1.2656 0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0629 1.4914 0.2410 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2270 -1.3460 2.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1975 0.2138 0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6059 0.5078 -0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0279 1.9807 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9663 2.4481 1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1363 2.8756 -0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3524 0.6410 -0.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -1.6325 -1.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7206 1.1290 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 0.2354 -0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6776 0.6647 1.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7733 -0.8176 2.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8264 -0.3046 -3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4942 -1.9541 -2.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4515 -1.4679 1.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4461 0.1710 2.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -2.1329 -1.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9967 -0.4139 -2.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8613 -0.4919 -3.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5494 1.0909 -2.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2479 -2.6934 0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9521 -3.1947 -0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -3.0486 1.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5117 -2.8568 0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5657 1.8712 1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6869 0.5435 2.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0256 0.6333 -2.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9978 -1.6907 0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4834 -2.2768 0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5904 -1.8065 1.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0223 0.8687 -1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1833 -0.4639 -0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0105 0.1231 1.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7863 1.8118 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5144 -1.8605 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9392 -1.5918 -0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6697 2.4844 -0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0499 -0.2892 2.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1453 -1.6331 2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4445 -1.9598 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4855 0.8154 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1183 0.5183 1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6688 0.2240 -1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3247 -0.1253 0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0748 -0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5170 1.7632 1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 3.4389 1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9398 2.5301 1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1123 2.5237 -2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5274 3.8992 -0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1081 2.9269 -0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 30 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 32 1 0 0 0 0 7 10 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 17 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 21 1 0 0 0 0 13 23 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 14 46 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 22 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 24 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 26 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 M END > DB14045 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OTVRYZXVVMZHHW-DPAQBDIFSA-N/SDF?record_type=3d > CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C > InChI=1S/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 > OTVRYZXVVMZHHW-DPAQBDIFSA-N > C27H45Cl > 405.11 > 404.3209791 > 0 > 73 > 52.00765317782445 > 1 > 0 > 0 > 0 > (1R,3aS,3bS,7S,9aR,9bS,11aR)-7-chloro-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene > 8.15 > 8.467480886666666 > -7.74 > 0 > 4 > 0 > 0.0 > 123.66749999999996 > 5 > 0 > 7.39e-06 g/l > cholesteryl chloride > 1 $$$$