70569011 -OEChem-03282404112D 57 60 0 1 0 0 0 0 0999 V2000 5.0182 0.2707 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -3.5646 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8114 -3.5935 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 0.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 2.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.5046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.4954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.9954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.4954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.8094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.0046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 0.5046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7510 -1.0022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.5646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7430 -2.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 2.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.3406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.4147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.1093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -0.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.9214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 -2.8757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.6154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 0.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 0.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 0.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.2675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 2.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 0.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7757 2.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4502 2.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.6499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7928 3.5935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 21 2 1 6 0 0 0 3 27 1 0 0 0 0 13 4 1 6 0 0 0 4 51 1 0 0 0 0 17 5 1 6 0 0 0 5 53 1 0 0 0 0 6 23 2 0 0 0 0 7 28 1 0 0 0 0 7 57 1 0 0 0 0 8 30 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 1 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 31 1 6 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 32 1 1 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 24 1 6 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 22 1 0 0 0 0 18 25 1 1 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 29 2 0 0 0 0 26 52 1 0 0 0 0 27 30 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 M END > 70569011 > 1 > 886 > 8 > 3 > 2 > AAADceB4OYAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwAACAAAD1SggAICAAAAAgCIAqBSAAIAAAAgAAAICAFAAEgAEBIAAAAAQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > (6S,8S,9R,10S,11R,13S,14S,16R,17R)-4,6,9-trifluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one > (6S,8S,9R,10S,11R,13S,14S,16R,17R)-4,6,9-trifluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one > (6S,8S,9R,10S,11R,13S,14S,16R,17R)-4,6,9-trifluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one > (6S,8S,9R,10S,11R,13S,14S,16R,17R)-4,6,9-trifluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one > (6S,8S,9R,10S,11R,13S,14S,16R,17R)-4,6,9-tris(fluoranyl)-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one > (6S,8S,9R,10S,11R,13S,14S,16R,17R)-4,6,9-trifluoro-17-glycoloyl-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one > InChI=1S/C22H27F3O5/c1-10-6-11-12-7-13(23)17-18(24)14(27)4-5-19(17,2)21(12,25)15(28)8-20(11,3)22(10,30)16(29)9-26/h4-5,10-13,15,26,28,30H,6-9H2,1-3H3/t10-,11+,12+,13+,15-,19+,20+,21+,22+/m1/s1 > NPZQDRPVQOSNGL-HDGQGCADSA-N > 2.2 > 428.18105844 > C22H27F3O5 > 428.4 > CC1CC2C3CC(C4=C(C(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F)F > C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=C(C(=O)C=C[C@@]4([C@]3([C@@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F)F > 94.8 > 428.18105844 > 0 > 30 > 9 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 1 6 10 31 6 11 32 5 16 24 6 18 25 5 21 2 6 13 4 6 17 5 6 9 20 5 $$$$