73265242 -OEChem-03292411032D 65 68 0 1 0 0 0 0 0999 V2000 10.8722 0.9845 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0182 -0.3187 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.1716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5576 1.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 2.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.0847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -1.0847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 -1.5847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 0.2200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -1.0847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -1.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.5847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 0.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -1.5915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -2.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -3.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 0.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -1.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 2.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 2.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5480 2.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 3.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -2.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.6987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -1.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 0.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.5107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 0.9153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.5353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 0.9153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.2047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -0.5847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 -0.4417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 -0.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.8568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.8029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 -0.1153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5074 -0.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.2392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9888 3.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2094 3.3678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0587 2.1316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8381 1.9645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 3.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3459 3.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 2.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 12 2 1 6 0 0 0 11 3 1 6 0 0 0 3 28 1 0 0 0 0 4 18 2 0 0 0 0 5 22 2 0 0 0 0 6 28 2 0 0 0 0 7 30 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 1 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 34 1 1 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 10 35 1 6 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 23 1 6 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 21 1 0 0 0 0 16 24 1 1 0 0 0 16 25 1 0 0 0 0 17 20 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 26 2 0 0 0 0 22 27 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 29 2 0 0 0 0 25 54 1 0 0 0 0 26 30 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 M END > 73265242 > 1 > 987 > 6 > 0 > 6 > AAADcfB4OQAEAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwIAAAAAD0eAgEACCAAABACIAqDSCAIAAAAgAAAICAFAAkhAABIBAQQCAAAEgAAIAYOKyvCvgAAAAAAAAACAAAQAACAAAYAADAAAAA== > [(8R,9R,10S,13S,14R,16R,17R)-17-(2-chloroacetyl)-9-fluoro-10,13,16-trimethyl-3,11-dioxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] butanoate > butanoic acid [(8R,9R,10S,13S,14R,16R,17R)-17-(2-chloro-1-oxoethyl)-9-fluoro-10,13,16-trimethyl-3,11-dioxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] ester > [(8R,9R,10S,13S,14R,16R,17R)-17-(2-chloroacetyl)-9-fluoro-10,13,16-trimethyl-3,11-dioxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] butanoate > [(8R,9R,10S,13S,14R,16R,17R)-17-(2-chloroacetyl)-9-fluoro-10,13,16-trimethyl-3,11-dioxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] butanoate > [(8R,9R,10S,13S,14R,16R,17R)-17-(2-chloranylethanoyl)-9-fluoranyl-10,13,16-trimethyl-3,11-bis(oxidanylidene)-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] butanoate > butyric acid [(8R,9R,10S,13S,14R,16R,17R)-17-(2-chloroacetyl)-9-fluoro-3,11-diketo-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] ester > InChI=1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18-,19-,23+,24+,25+,26+/m1/s1 > FBRAWBYQGRLCEK-DPZXCMPBSA-N > 3.8 > 478.1922300 > C26H32ClFO5 > 479.0 > CCCC(=O)OC1(C(CC2C1(CC(=O)C3(C2CCC4=CC(=O)C=CC43C)F)C)C)C(=O)CCl > CCCC(=O)O[C@@]1([C@@H](C[C@H]2[C@@]1(CC(=O)[C@]3([C@@H]2CCC4=CC(=O)C=C[C@@]43C)F)C)C)C(=O)CCl > 77.5 > 478.1922300 > 0 > 33 > 7 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 35 6 14 23 6 16 24 5 12 2 6 11 3 6 8 19 5 9 34 5 $$$$