56649463 -OEChem-05102419222D 60 62 0 1 0 0 0 0 0999 V2000 0.0161 3.1085 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0182 3.8353 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 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 8.0622 4.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8566 6.5415 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 4.2715 9.1951 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 1 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 6.3393 2.7645 0.0000 C 0 0 0 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 6.9229 3.5692 0.0000 C 0 0 1 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 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 7.9229 3.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4163 3.5047 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 7.0465 5.9551 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 5.4830 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 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 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 7.2046 3.0170 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 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 7.9229 2.9492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5429 3.5692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9229 4.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0005 3.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2087 4.0889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 3.2972 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 1.8361 3.7464 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 6.7757 6.5128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4502 5.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7928 7.1582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8084 9.5051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7345 9.5051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 13 2 1 6 0 0 0 22 3 1 6 0 0 0 14 4 1 6 0 0 0 4 52 1 0 0 0 0 18 5 1 1 0 0 0 5 54 1 0 0 0 0 6 24 2 0 0 0 0 7 29 1 0 0 0 0 7 58 1 0 0 0 0 8 31 2 0 0 0 0 9 59 1 0 0 0 0 9 60 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 21 1 1 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 32 1 6 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 33 1 1 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 25 1 6 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 23 1 0 0 0 0 19 26 1 1 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 28 2 0 0 0 0 24 29 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 30 2 0 0 0 0 27 53 1 0 0 0 0 28 31 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 M END > 56649463 > 1 > 889 > 8 > 4 > 2 > AAADceB4OYAEAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwIACAAAD1aggAICAAAAAgCIAqBSAAIAAAAgAAAACAFAAkhAEBIAAQAAQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > (6S,8S,9R,10S,11S,13S,14S,16R,17R)-2-chloro-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;hydrate > (6S,8S,9R,10S,11S,13S,14S,16R,17R)-2-chloro-6,9-difluoro-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;hydrate > (6S,8S,9R,10S,11S,13S,14S,16R,17R)-2-chloro-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;hydrate > (6S,8S,9R,10S,11S,13S,14S,16R,17R)-2-chloro-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;hydrate > (6S,8S,9R,10S,11S,13S,14S,16R,17R)-2-chloranyl-6,9-bis(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;hydrate > (6S,8S,9R,10S,11S,13S,14S,16R,17R)-2-chloro-6,9-difluoro-17-glycoloyl-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;hydrate > InChI=1S/C22H27ClF2O5.H2O/c1-10-4-11-12-5-15(24)13-6-16(27)14(23)7-19(13,2)21(12,25)17(28)8-20(11,3)22(10,30)18(29)9-26;/h6-7,10-12,15,17,26,28,30H,4-5,8-9H2,1-3H3;1H2/t10-,11+,12+,15+,17+,19+,20+,21+,22+;/m1./s1 > LIVSBYNMLPEZHQ-DNGJBDHLSA-N > 462.1620727 > C22H29ClF2O6 > 462.9 > CC1CC2C3CC(C4=CC(=O)C(=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)Cl)F.O > C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C(=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)Cl)F.O > 95.8 > 462.1620727 > 0 > 31 > 9 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 21 5 11 32 6 12 33 5 17 25 6 19 26 5 13 2 6 22 3 6 14 4 6 18 5 5 $$$$