444000 -OEChem-05082420582D 65 66 0 1 0 0 0 0 0999 V2000 3.7205 -4.1465 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1398 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.9566 2.8573 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.2458 4.0140 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 12.7999 4.1465 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 12.9781 2.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9351 3.0635 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.7504 3.8358 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.1629 1.8788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -1.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -0.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -1.6498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7213 1.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7213 0.3958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8552 -0.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9892 0.3958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6675 1.7006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8552 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6675 0.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9892 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2511 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8713 -1.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7213 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0792 -0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9732 -1.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0712 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1524 0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1358 -1.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2045 -0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 -2.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 -3.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8112 -0.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5946 -0.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7253 0.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2800 1.7968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2538 2.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4567 2.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4164 -0.4758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2049 -0.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7772 1.9784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3786 1.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7120 0.4811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7120 1.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0893 -1.7261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4804 -1.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3413 2.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7213 3.0158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1013 2.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5759 -2.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3742 -2.1463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1643 1.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1381 -2.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6712 0.2413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8021 -3.2332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2033 -2.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1324 -0.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3353 -0.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5145 -2.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1133 -3.2518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 -2.1166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2608 -2.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 2 0 0 0 0 17 6 1 1 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 31 2 0 0 0 0 12 31 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 17 1 0 0 0 0 13 18 1 0 0 0 0 13 23 1 1 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 36 1 6 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 37 1 1 0 0 0 16 20 1 0 0 0 0 16 24 1 0 0 0 0 16 38 1 6 0 0 0 17 21 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 25 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 27 55 1 0 0 0 0 28 30 2 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 32 34 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 35 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 M CHG 4 4 1 5 1 7 -1 8 -1 M END > 444000 > 1 > 735 > 6 > 0 > 7 > AAADceB6ODIGAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGDBAAAAHgIAACAADxfhmEYyDoMABRCIQiBCGIACCAAgIAAIiAAOCIgMJiKEMRrIMiAkxhGIqAeAwPAPoAABAAAQAADAAAYAACAAAIAADAAAAA== > disodium;[(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] phosphate > disodium;[(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)amino-oxomethoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] phosphate > disodium;[(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] phosphate > disodium;[(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] phosphate > disodium;[(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] phosphate > disodium;[(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] phosphate > InChI=1S/C23H32Cl2NO6P.2Na/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30;;/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30);;/q;2*+1/p-2/t18-,19-,20+,21+,23+;;/m1../s1 > IIUMCNJTGSMNRO-VVSKJQCTSA-L > 563.0983186 > C23H30Cl2NNa2O6P > 564.3 > CC12CCC3C(C1CCC2OP(=O)([O-])[O-])CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.[Na+].[Na+] > C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)([O-])[O-])CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.[Na+].[Na+] > 102 > 563.0983186 > 0 > 35 > 5 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 13 23 5 14 36 6 15 37 5 16 38 6 24 26 8 24 27 8 26 28 8 27 29 8 28 30 8 29 30 8 17 6 5 $$$$