69174131 -OEChem-04262403592D 64 65 0 1 0 0 0 0 0999 V2000 11.5015 -1.0129 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.0826 -1.7201 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 12.2087 0.5682 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.0319 1.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7423 1.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9151 -0.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 2.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0879 -1.8229 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.3115 -0.4265 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.6914 -1.5993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.0968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.9032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.4032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.9032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 0.4016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.0968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -1.4100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9229 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -2.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3340 0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -0.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9204 -0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 3.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.8225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.4782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.0116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -0.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -0.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3627 -0.5765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0903 -0.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9152 3.4614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0395 3.4170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0839 2.5413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 17 4 1 6 0 0 0 4 34 1 0 0 0 0 20 5 1 1 0 0 0 5 57 1 0 0 0 0 6 27 2 0 0 0 0 7 31 1 0 0 0 0 8 33 2 0 0 0 0 9 34 2 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 24 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 23 1 0 0 0 0 15 37 1 1 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 38 1 6 0 0 0 17 22 1 0 0 0 0 17 27 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 26 1 0 0 0 0 21 28 1 1 0 0 0 21 29 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 30 2 0 0 0 0 27 31 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 32 2 0 0 0 0 29 56 1 0 0 0 0 30 33 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 34 35 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 M CHG 4 2 1 3 1 10 -1 11 -1 M END > 69174131 > 1 > 984 > 9 > 1 > 5 > AAADceB4PDIAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAACCAAD1SggAICCAAABxCIQqDSCIIAAAAgAAAICAFAAEgAEBIAAQQCQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > disodium;[2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetoxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] phosphate > disodium;[2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate > disodium;[2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate > disodium;[2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate > disodium;[2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetyloxy-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] phosphate > disodium;[2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetoxy-11-hydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] phosphate > InChI=1S/C23H31O9P.2Na/c1-13(24)32-23(19(27)12-31-33(28,29)30)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3;;/h6,8,10,16-18,20,26H,4-5,7,9,11-12H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t16-,17-,18-,20+,21-,22-,23-;;/m0../s1 > IWOAQNALIAPOHF-NOQYICHDSA-L > 526.13445806 > C23H29Na2O9P > 526.4 > CC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)COP(=O)([O-])[O-].[Na+].[Na+] > CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)COP(=O)([O-])[O-].[Na+].[Na+] > 153 > 526.13445806 > 0 > 35 > 7 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 13 24 5 14 36 6 15 37 5 16 38 6 21 28 5 17 4 6 20 5 5 $$$$