70581611 -OEChem-05112408272D 101104 0 1 0 0 0 0 0999 V2000 17.0878 1.1125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.5022 4.2747 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0319 4.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 4.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0465 5.6040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8722 4.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8879 3.3843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1171 10.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9693 3.5102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 3.7182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3931 2.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5271 2.2182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6610 2.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3393 4.0229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5271 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 3.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7510 2.2113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9229 3.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5431 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 4.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6451 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1493 4.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 3.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 2.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8076 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7850 4.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5951 4.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5079 4.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3180 5.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2308 4.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0408 5.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3336 3.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9537 4.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2464 3.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0565 3.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0721 2.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7794 4.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9850 2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6922 3.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2511 9.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3851 10.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2511 8.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 1.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2664 1.7988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3972 3.1432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9256 4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1285 4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0883 1.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8767 2.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 4.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3838 2.8034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3838 3.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 0.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1523 1.2922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0131 4.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 5.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7731 4.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2478 0.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 0.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3787 3.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7635 3.8313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1388 3.2161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 3.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4476 5.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 4.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7146 3.6876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5074 3.7695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 2.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9427 5.4788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1498 5.3969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1603 4.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9532 4.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6655 5.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8727 5.5749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9771 5.9383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8314 3.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4559 5.2768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3102 2.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4537 2.5598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9211 1.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1269 4.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3341 4.5281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6034 2.0629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1360 2.7085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3446 3.1749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1374 3.2568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7880 9.2722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6951 10.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8482 10.3922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0751 9.5452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6311 8.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2511 7.9622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8711 8.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6541 9.7722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 44 1 0 0 0 0 2 45 1 0 0 0 0 15 3 1 6 0 0 0 3 70 1 0 0 0 0 18 4 1 1 0 0 0 4 71 1 0 0 0 0 5 25 2 0 0 0 0 6 29 1 0 0 0 0 6 32 1 0 0 0 0 7 31 2 0 0 0 0 8 32 2 0 0 0 0 9 46 1 0 0 0 0 9101 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 22 1 1 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 49 1 6 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 50 1 1 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 51 1 6 0 0 0 15 20 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 20 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 19 24 1 0 0 0 0 19 26 1 1 0 0 0 19 27 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 23 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 24 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 30 2 0 0 0 0 27 69 1 0 0 0 0 28 31 1 0 0 0 0 28 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 31 1 0 0 0 0 30 75 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 35 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 36 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 82 1 0 0 0 0 38 40 2 0 0 0 0 38 83 1 0 0 0 0 39 41 2 0 0 0 0 39 84 1 0 0 0 0 40 41 1 0 0 0 0 40 85 1 0 0 0 0 42 44 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 43 45 1 0 0 0 0 43 88 1 0 0 0 0 43 89 1 0 0 0 0 44 90 1 0 0 0 0 44 91 1 0 0 0 0 45 92 1 0 0 0 0 45 93 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 94 1 0 0 0 0 47 95 1 0 0 0 0 47 96 1 0 0 0 0 47 97 1 0 0 0 0 48 98 1 0 0 0 0 48 99 1 0 0 0 0 48100 1 0 0 0 0 M END > 70581611 > 1 > 1150 > 8 > 3 > 13 > AAADcfB+OAAGAAAAAAAAAAAAAAAAAYAAAAAwYMEAAAAAAGDBAAAAHgIACAAAD1/hmEYyyIMABgCIAqTSSAKCAAAhAgAIiAFIZMgIMDLAkZXGYAhlgADIyYfYzPDPiAAAAAAAAADQAAYAADAAAYAADAAAAA== > [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate;propan-2-ol > 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester;2-propanol > [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate;propan-2-ol > [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate;propan-2-ol > [2-[(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate;propan-2-ol > 4-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester;propan-2-ol > InChI=1S/C35H45Cl2NO6.C3H8O/c1-33-14-12-26(39)20-24(33)8-11-27-28-13-15-35(43,34(28,2)21-29(40)32(27)33)30(41)22-44-31(42)5-3-4-23-6-9-25(10-7-23)38(18-16-36)19-17-37;1-3(2)4/h6-7,9-10,12,14,20,27-29,32,40,43H,3-5,8,11,13,15-19,21-22H2,1-2H3;3-4H,1-2H3/t27-,28-,29-,32+,33-,34-,35-;/m0./s1 > ZHRQRCLETPGRMU-AUMAHSTESA-N > 705.3199084 > C38H53Cl2NO7 > 706.7 > CC(C)O.CC12CC(C3C(C1CCC2(C(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)O)CCC5=CC(=O)C=CC35C)O > CC(C)O.C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)O)CCC5=CC(=O)C=C[C@]35C)O > 124 > 705.3199084 > 0 > 48 > 7 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 11 22 5 12 49 6 13 50 5 14 51 6 19 26 5 15 3 6 36 37 8 36 38 8 37 39 8 38 40 8 39 41 8 18 4 5 40 41 8 $$$$