70581779 -OEChem-05142414202D 59 62 0 1 0 0 0 0 0999 V2000 10.4229 -1.3614 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 0.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 2.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.0046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.9954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.4954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.9954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 0.3094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 0.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.4954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 0.0046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -1.5022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5431 -2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -3.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -0.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 1.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.5704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 0.9796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.9796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.6093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -1.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.1173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 -0.4715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 -0.4561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5055 -0.2833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8152 0.1152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -0.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.1177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -0.4975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 1.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.8808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -1.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.7135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7757 2.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4502 1.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7928 3.0935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 11 2 1 6 0 0 0 2 52 1 0 0 0 0 15 3 1 1 0 0 0 3 53 1 0 0 0 0 4 22 2 0 0 0 0 5 28 1 0 0 0 0 5 59 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 29 1 6 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 30 1 1 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 31 1 6 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 23 1 6 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 16 24 1 1 0 0 0 17 20 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 26 2 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 25 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 28 1 0 0 0 0 23 47 1 0 0 0 0 23 48 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 27 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 M END > 70581779 > 1 > 734 > 6 > 3 > 3 > AAADceB4OQAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwAACAAAD1SggAICAAAAAgCIAqBSAAIAAAAgAAAACAFAAEgAEBIAAQAAQAAFgAAIAQPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > (8S,9S,10R,11S,13S,14S,16R,17R)-16-(fluoromethyl)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one > (8S,9S,10R,11S,13S,14S,16R,17R)-16-(fluoromethyl)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one > (8S,9S,10R,11S,13S,14S,16R,17R)-16-(fluoromethyl)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one > (8S,9S,10R,11S,13S,14S,16R,17R)-16-(fluoromethyl)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one > (8S,9S,10R,11S,13S,14S,16R,17R)-16-(fluoranylmethyl)-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one > (8S,9S,10R,11S,13S,14S,16R,17R)-16-(fluoromethyl)-17-glycoloyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one > InChI=1S/C22H31FO5/c1-20-6-5-14(25)7-12(20)3-4-15-16-8-13(10-23)22(28,18(27)11-24)21(16,2)9-17(26)19(15)20/h7,13,15-17,19,24,26,28H,3-6,8-11H2,1-2H3/t13-,15-,16-,17-,19+,20-,21-,22-/m0/s1 > BVRZBVPTDQUZPZ-UFXWFUJLSA-N > 1.9 > 394.21555225 > C22H31FO5 > 394.5 > CC12CCC(=O)C=C1CCC3C2C(CC4(C3CC(C4(C(=O)CO)O)CF)C)O > C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3C[C@H]([C@@]4(C(=O)CO)O)CF)C)O > 94.8 > 394.21555225 > 0 > 28 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 31 6 14 23 6 16 24 5 11 2 6 15 3 5 7 18 5 8 29 6 9 30 5 $$$$