6918548 -OEChem-10101305032D 65 69 0 1 0 0 0 0 0999 V2000 10.4048 0.1302 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.2320 1.7502 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.4385 2.1130 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.2148 0.7166 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0421 2.3366 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7010 1.3054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -3.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -0.9509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0084 0.3538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 -1.4509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -0.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7202 0.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2122 -2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8184 0.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4201 -1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3142 -3.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4121 -2.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6285 1.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4933 -0.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4767 -3.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5454 -1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 -2.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1521 -1.7961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9355 -1.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7574 -1.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5458 -1.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0529 -0.8656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0529 -0.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3028 1.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5081 1.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1376 0.7767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4302 -3.0728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8214 -2.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9169 -3.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7151 -3.4931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1758 1.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 -0.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1034 -0.4116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4791 -3.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3408 -0.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9338 -1.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 3.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.0491 0.0000 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 1 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 1 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 37 1 6 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 1 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 1 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 $$$$