70611902 -OEChem-05122415232D 62 65 0 1 0 0 0 0 0999 V2000 5.0182 0.1563 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 0.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -3.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 2.8624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.3902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.6098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.1098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.6949 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 -0.6098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -0.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 0.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.1098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 0.3902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -1.1166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -2.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 2.2760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8076 -2.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1337 2.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0309 3.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.5291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -0.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.7317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.3902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.3902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.7298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -0.1098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 2.1066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 0.0332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 0.4099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 0.0673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 2.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.7643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5153 2.7287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9827 2.0830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7928 3.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6476 3.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9671 4.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4142 3.6153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 11 2 1 1 0 0 0 2 48 1 0 0 0 0 16 3 1 1 0 0 0 3 53 1 0 0 0 0 4 20 2 0 0 0 0 5 23 2 0 0 0 0 6 26 1 0 0 0 0 6 59 1 0 0 0 0 7 29 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 14 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 32 1 6 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 33 1 1 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 22 1 1 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 17 21 1 0 0 0 0 17 24 1 1 0 0 0 17 25 1 0 0 0 0 18 23 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 26 1 0 0 0 0 21 23 1 0 0 0 0 21 27 2 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 28 2 0 0 0 0 25 52 1 0 0 0 0 26 30 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 29 1 0 0 0 0 28 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 M END > 70611902 > 1 > 925 > 7 > 3 > 3 > AAADceB4OQAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwAACAAAD1SggAICAAAAAgCIAqBSAAIAAAAgAAAICAFAAEgAEBIAAAAAQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > (8S,9R,10S,11S,13S,14S,16S,17S)-9-fluoro-11,17-dihydroxy-17-(2-hydroxybutanoyl)-10,13,16-trimethyl-8,11,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthrene-3,6-dione > (8S,9R,10S,11S,13S,14S,16S,17S)-9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxobutyl)-10,13,16-trimethyl-8,11,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthrene-3,6-dione > (8S,9R,10S,11S,13S,14S,16S,17S)-9-fluoro-11,17-dihydroxy-17-(2-hydroxybutanoyl)-10,13,16-trimethyl-8,11,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthrene-3,6-dione > (8S,9R,10S,11S,13S,14S,16S,17S)-9-fluoro-11,17-dihydroxy-17-(2-hydroxybutanoyl)-10,13,16-trimethyl-8,11,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthrene-3,6-dione > (8S,9R,10S,11S,13S,14S,16S,17S)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylbutanoyl)-8,11,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthrene-3,6-dione > (8S,9R,10S,11S,13S,14S,16S,17S)-9-fluoro-11,17-dihydroxy-17-(2-hydroxybutanoyl)-10,13,16-trimethyl-8,11,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthrene-3,6-quinone > InChI=1S/C24H31FO6/c1-5-17(27)20(30)24(31)12(2)8-14-15-10-18(28)16-9-13(26)6-7-21(16,3)23(15,25)19(29)11-22(14,24)4/h6-7,9,12,14-15,17,19,27,29,31H,5,8,10-11H2,1-4H3/t12-,14-,15-,17?,19-,21-,22-,23-,24+/m0/s1 > WTVIMSBCQLSLIC-YOAYOHOXSA-N > 2.2 > 434.21046687 > C24H31FO6 > 434.5 > CCC(C(=O)C1(C(CC2C1(CC(C3(C2CC(=O)C4=CC(=O)C=CC43C)F)O)C)C)O)O > CCC(C(=O)[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CC(=O)C4=CC(=O)C=C[C@@]43C)F)O)C)C)O)O > 112 > 434.21046687 > 0 > 31 > 8 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 1 6 10 33 5 15 22 5 17 24 5 11 2 5 16 3 5 26 6 3 8 19 5 9 32 6 $$$$