70551789 -OEChem-03282420422D 57 60 0 1 0 0 0 0 0999 V2000 5.6489 -3.5791 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.9902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 0.9730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 2.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.4902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.5098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.0098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.5098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.7949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.0098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 0.4902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -1.0167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -2.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.5791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7430 -2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 2.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.3551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.0848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.1238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -0.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.6317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.9358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 -2.8901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.6298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -0.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.6102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -0.0215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -0.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 2.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 0.1673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.6102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.2280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7757 2.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4502 2.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7928 3.5791 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 50 1 0 0 0 0 15 3 1 1 0 0 0 3 52 1 0 0 0 0 4 21 2 0 0 0 0 5 26 1 0 0 0 0 5 57 1 0 0 0 0 6 28 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 1 0 0 0 8 9 1 0 0 0 0 8 12 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 1 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 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 22 1 1 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 1 0 0 0 16 24 1 0 0 0 0 17 19 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 43 1 0 0 0 0 20 25 2 0 0 0 0 21 26 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 27 2 0 0 0 0 24 51 1 0 0 0 0 25 28 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 M END > 70551789 > 1 > 790 > 6 > 3 > 2 > AAADceB4OQAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwAACAAAD1SggAICAAAAAgCIAqBSAAIAAAAgAAAICAFAAEgAEBIAAQAAQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > (6S,8S,9R,10R,11S,13S,14S,16S,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one > (6S,8S,9R,10R,11S,13S,14S,16S,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one > (6S,8S,9R,10R,11S,13S,14S,16S,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one > (6S,8S,9R,10R,11S,13S,14S,16S,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one > (6S,8S,9R,10R,11S,13S,14S,16S,17R)-6-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one > (6S,8S,9R,10R,11S,13S,14S,16S,17R)-6-fluoro-17-glycoloyl-11,17-dihydroxy-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one > InChI=1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1 > MKPDWECBUAZOHP-XHIJKXOTSA-N > 2 > 392.19990218 > C22H29FO5 > 392.5 > CC1CC2C3CC(C4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)CO)O)C)O)C)F > C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)F > 94.8 > 392.19990218 > 0 > 28 > 9 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 1 6 10 31 5 14 22 5 16 23 5 11 2 6 15 3 5 7 18 5 8 29 6 9 30 5 $$$$