6918548 Wcorina 10100417263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 65 69 0 1 0 0 0 0 0999 V2000 0.4963 -2.5297 -0.2476 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6712 -0.3272 -0.8286 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0565 -1.4613 0.0815 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0312 -2.0490 2.0366 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2061 0.1535 1.4556 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2698 0.4335 1.7295 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3627 -5.2619 -4.5171 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6329 4.8070 0.3854 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8022 -0.9952 0.5069 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2203 -2.4681 0.7585 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4510 -0.8852 1.2097 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7059 -2.5771 0.4429 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7802 -0.7856 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8638 -2.6467 2.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5013 -1.9142 2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2334 -0.8692 -1.4888 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9032 -2.1316 -0.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8092 -0.0477 1.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1768 -3.9990 0.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6802 -1.2310 0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 -2.7965 -1.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5418 -4.2622 0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9957 0.3304 -0.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4246 -3.9843 -1.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0222 -1.1451 0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8457 -2.3193 -3.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9638 -4.8127 -2.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8002 -3.5343 -4.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4127 1.5848 -1.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2772 0.1727 -0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7571 -4.5897 -3.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1035 2.6873 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9814 1.2654 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3968 2.5353 -0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1409 3.7067 0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5342 3.5386 0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6448 -3.1447 0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2573 -1.9070 1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3656 0.1954 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1824 -1.5639 -1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6137 -2.1762 2.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7569 -3.7033 2.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3171 -2.6273 2.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4385 -1.4019 3.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2433 -0.8695 -2.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -0.0974 2.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6214 0.9717 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8206 -0.3424 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4498 -4.6954 0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2467 -4.1623 1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8282 -5.3019 0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2878 -3.6016 0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 0.5635 2.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8038 -1.8109 -3.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0353 -1.6351 -3.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5590 -5.6547 -2.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0798 -3.2280 -5.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7893 -3.9415 -4.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4139 1.7005 -1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7270 -0.8088 -0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 3.6654 -0.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9814 1.1407 0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9215 4.5087 1.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1806 3.1198 0.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5082 2.8656 1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 20 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 25 1 0 0 0 0 11 6 1 0 0 0 0 6 53 1 0 0 0 0 7 31 2 0 0 0 0 8 35 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 37 1 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 12 17 1 0 0 0 0 12 19 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 16 45 1 0 0 0 0 17 21 2 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 25 1 0 0 0 0 21 24 1 0 0 0 0 21 26 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 27 2 0 0 0 0 26 28 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 31 1 0 0 0 0 27 56 1 0 0 0 0 28 31 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 32 1 0 0 0 0 29 59 1 0 0 0 0 30 33 2 0 0 0 0 30 60 1 0 0 0 0 32 34 2 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 M END > 6918548 > 1 > 1020 > 8 > 1 > 3 > AAADceB4McAAAAAAAAAAAAAAAAAAAYAAAAAwYIEAAAAAAGCBAAAAGwAACAAAD0SAmBAyAIAAAgCIAqBSAAACAAAkAAAIiAEAAMgIIDKAFRCAYQAkgAAIiYeIyPCPwAAAAAAAAACAAAQAACAAAYAADAAAAA== > (8S,11R,13S,14S,17S)-11-(4-acetylphenyl)-17-hydroxy-13-methyl-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one > (8S,11R,13S,14S,17S)-11-(4-acetylphenyl)-17-hydroxy-13-methyl-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one > (8S,11R,13S,14S,17S)-11-(4-acetylphenyl)-17-hydroxy-13-methyl-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one > (8S,11R,13S,14S,17S)-11-(4-ethanoylphenyl)-13-methyl-17-oxidanyl-17-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one > (8S,11R,13S,14S,17S)-11-(4-acetylphenyl)-17-hydroxy-13-methyl-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one > InChI=1S/C28H29F5O3/c1-15(34)16-3-5-17(6-4-16)22-14-25(2)23(11-12-26(25,36)27(29,30)28(31,32)33)21-9-7-18-13-19(35)8-10-20(18)24(21)22/h3-6,13,21-23,36H,7-12,14H2,1-2H3/t21-,22+,23-,25-,26-/m0/s1 > VHZPUDNSVGRVMB-RXDLHWJPSA-N > 4.5 > 508.203686 > C28H29F5O3 > 508.520076 > CC(=O)C1=CC=C(C=C1)C2CC3(C(CCC3(C(C(F)(F)F)(F)F)O)C4C2=C5CCC(=O)C=C5CC4)C > CC(=O)C1=CC=C(C=C1)[C@H]2C[C@]3([C@@H](CC[C@]3(C(C(F)(F)F)(F)F)O)[C@H]4C2=C5CCC(=O)C=C5CC4)C > 54.4 > 508.203686 > 0 > 36 > 5 > 0 > 0 > 0 > 0 > 1 > 107 > 1 5 255 > 10 37 6 12 38 5 16 23 5 23 29 8 23 30 8 29 32 8 30 33 8 32 34 8 33 34 8 11 6 5 9 18 5 $$$$