16752 -OEChem-03182423142D 68 72 0 1 0 0 0 0 0999 V2000 5.0182 -1.5021 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 -0.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 -0.7681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 -0.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 1.2041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8409 2.6071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1839 3.9580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -1.2681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -2.2681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -2.7681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -2.2681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -0.9634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -2.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 -0.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -1.7681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -1.2681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -2.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -3.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -4.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -3.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 -0.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -2.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -4.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 0.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -2.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -3.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7538 2.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5638 2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4610 3.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4766 2.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2710 4.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2867 2.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -3.1133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -3.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -3.1397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -2.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 -0.2932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 -0.2932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -1.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -0.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -4.3900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -3.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 -0.2681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.3519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 -0.2681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -4.8133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -4.8103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -2.3881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -1.7681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 -1.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 -1.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -2.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 0.4483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -1.5910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 -0.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -4.9863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7757 1.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4502 0.4479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -2.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8950 4.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5404 1.7602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2073 4.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8526 2.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 13 2 1 6 0 0 0 2 58 1 0 0 0 0 17 3 1 1 0 0 0 3 60 1 0 0 0 0 4 23 2 0 0 0 0 5 28 1 0 0 0 0 5 31 1 0 0 0 0 6 30 2 0 0 0 0 7 31 2 0 0 0 0 8 35 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 1 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 37 1 6 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 38 1 1 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 24 1 6 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 18 22 1 0 0 0 0 18 25 1 1 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 29 2 0 0 0 0 26 59 1 0 0 0 0 27 30 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 29 64 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 65 1 0 0 0 0 34 36 2 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 M END > 16752 > 1 > 1040 > 8 > 2 > 5 > AAADcfB6OQAAAAAAAAAAAAAAAAAAAYAAAAA8YIEAAAAAAGDBgAAAHwAACAAAD1ThmgY+iJIIFgCoArD3TAKCgCA1AiAI2CF4bNgINnLAtZ2GcQhlwAHI6Yf8zPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] pyridine-4-carboxylate > 4-pyridinecarboxylic acid [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester > [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pyridine-4-carboxylate > [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pyridine-4-carboxylate > [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] pyridine-4-carboxylate > isonicotinic acid [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester > InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1 > BQTXJHAJMDGOFI-NJLPOHDGSA-N > 3.4 > 497.22136590 > C28H32FNO6 > 497.6 > CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C5=CC=NC=C5)O)C)O)F)C > C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C5=CC=NC=C5)O)C)O)F)C > 114 > 497.22136590 > 0 > 36 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 1 6 10 37 6 11 38 5 16 24 6 18 25 5 13 2 6 17 3 5 32 33 8 32 34 8 33 35 8 34 36 8 8 35 8 8 36 8 9 20 5 $$$$