70582858 -OEChem-04252421042D 68 70 0 1 0 0 0 0 0999 V2000 3.6489 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0319 5.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 4.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0465 5.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8722 5.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 4.0692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3931 3.0692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5271 2.5692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6610 3.0692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3393 4.3740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5271 4.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 2.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 4.0692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7510 2.5624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9229 3.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5431 1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 5.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6451 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7430 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1493 4.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 3.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 3.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8076 0.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 1.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1521 9.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2861 8.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0181 8.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 9.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 2.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2664 2.1499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3972 3.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9256 5.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1285 5.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0883 2.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8767 2.4553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 4.6892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3838 3.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3838 3.9840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 0.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1523 1.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0131 5.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 5.6892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7731 5.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1087 0.6890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3787 3.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7635 4.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1388 3.5672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 3.7464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4476 5.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 5.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 0.3511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7146 4.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5074 4.1206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 2.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4382 4.8853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5506 9.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7536 9.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 8.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6846 8.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7081 7.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5551 8.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3281 9.0659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 9.5659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8831 9.3389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1101 8.4920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 6 0 0 0 11 2 1 6 0 0 0 2 52 1 0 0 0 0 14 3 1 1 0 0 0 3 53 1 0 0 0 0 4 21 2 0 0 0 0 5 25 1 0 0 0 0 5 58 1 0 0 0 0 6 27 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 1 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 32 1 6 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 33 1 1 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 34 1 6 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 16 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 15 20 1 0 0 0 0 15 22 1 1 0 0 0 15 23 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 24 2 0 0 0 0 21 25 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 26 2 0 0 0 0 23 51 1 0 0 0 0 24 27 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 26 27 1 0 0 0 0 26 57 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 31 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 M END > 70582858 > 1 > 762 > 6 > 3 > 3 > AAADcfB4OQAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwAACAAAD1SggAICAAAAAgCIAqBSAAIAAAAgAAAICAFAAEgAEBIAAQAAQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > butane;(6S,8S,9S,10R,11S,13S,14S,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one > butane;(6S,8S,9S,10R,11S,13S,14S,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one > butane;(6S,8S,9S,10R,11S,13S,14S,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one > butane;(6S,8S,9S,10R,11S,13S,14S,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one > butane;(6S,8S,9S,10R,11S,13S,14S,17R)-6-fluoranyl-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one > (6S,8S,9S,10R,11S,13S,14S,17R)-6-fluoro-17-glycoloyl-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;n-butane > InChI=1S/C21H27FO5.C4H10/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19;1-3-4-2/h3,5,7,12-13,15-16,18,23,25,27H,4,6,8-10H2,1-2H3;3-4H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-;/m0./s1 > CKXULFHNYOVUNV-OUYQBCAOSA-N > 436.26250244 > C25H37FO5 > 436.6 > CCCC.CC12CC(C3C(C1CCC2(C(=O)CO)O)CC(C4=CC(=O)C=CC34C)F)O > CCCC.C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@]34C)F)O > 94.8 > 436.26250244 > 0 > 31 > 8 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 19 1 6 10 34 6 15 22 5 11 2 6 14 3 5 7 18 5 8 32 6 9 33 5 $$$$