60196346 -OEChem-05082405172D 60 63 0 1 0 0 0 0 0999 V2000 5.0182 -0.7115 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 0.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.0224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 0.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 1.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8409 3.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.4776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3931 -1.4776 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5271 -1.9776 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6610 -1.4776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -0.1728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.4776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -1.9844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -1.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -3.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -3.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -3.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -1.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -3.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7538 2.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5638 3.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4587 -2.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0664 -2.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 0.4974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.4974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.1424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -2.3492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -2.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.9036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 0.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.1424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 0.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -4.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -4.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 -0.8345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 -0.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -1.2497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.8004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 1.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.6424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2329 -1.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2329 -0.4406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -4.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7757 1.9660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4502 1.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9273 3.0735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0660 3.9393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2002 4.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 13 2 1 6 0 0 0 2 50 1 0 0 0 0 14 3 1 1 0 0 0 3 51 1 0 0 0 0 4 23 2 0 0 0 0 5 28 1 0 0 0 0 5 30 1 0 0 0 0 6 29 2 0 0 0 0 7 30 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 1 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 18 1 0 0 0 0 13 23 1 0 0 0 0 14 36 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 1 0 0 0 15 24 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 25 2 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 26 2 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 28 1 0 0 0 0 24 27 2 0 0 0 0 24 49 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 29 1 0 0 0 0 26 54 1 0 0 0 0 27 29 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 30 31 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 M END > 60196346 > 1 > 952 > 7 > 2 > 4 > AAADceB4OQAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwAACAAAD1SggAICCAAABgCIAqDSCAIAAAAgAAAICAFAAEgAFBIAAQQCQAAFgAAIEYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > [2-[(9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-16-methylene-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate > acetic acid [2-[(9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-16-methylene-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester > [2-[(9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-16-methylidene-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate > [2-[(9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-16-methylidene-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate > [2-[(9R,10S,11S,13S,17R)-9-fluoranyl-10,13-dimethyl-16-methylidene-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate > acetic acid [2-[(9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-3-keto-10,13-dimethyl-16-methylene-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester > InChI=1S/C24H29FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,17-19,28,30H,1,5-6,9,11-12H2,2-4H3/t17?,18?,19-,21-,22-,23-,24-/m0/s1 > DEFOZIFYUBUHHU-CODDRGOBSA-N > 2.3 > 432.19481680 > C24H29FO6 > 432.5 > CC(=O)OCC(=O)C1(C(=C)CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)O > CC(=O)OCC(=O)[C@]1(C(=C)CC2[C@@]1(C[C@@H]([C@]3(C2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O > 101 > 432.19481680 > 0 > 31 > 5 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 1 6 10 17 3 15 22 5 13 2 6 14 3 5 8 19 5 9 16 3 $$$$