70678336 -OEChem-04252409242D 137142 0 1 0 0 0 0 0999 V2000 12.7425 -1.2750 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 15.6174 4.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 -3.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0266 2.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9506 -8.0814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6319 8.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -8.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0532 -0.3244 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.6996 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 -1.4812 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.1212 -3.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0152 3.1030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -5.0499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0093 2.9951 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9288 -6.0499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5999 3.8020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0628 -6.5499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1963 4.7170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -6.0499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7985 5.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2868 -6.5568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6101 2.1952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -4.7452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6116 4.0180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -4.5499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2022 4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -5.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8348 5.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2787 -7.5984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2101 2.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -6.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6336 3.6736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0789 -7.5914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3471 1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -5.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2552 4.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -8.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3377 6.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -5.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0210 3.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -4.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6315 1.9890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1857 -3.7947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4823 6.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -8.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8035 5.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -5.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9650 7.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -6.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0445 7.3258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4037 -7.6056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3209 1.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1642 -3.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9637 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 -3.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3424 0.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 -2.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0317 -0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 -2.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8399 2.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -6.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9369 3.0217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -6.9692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0420 4.6317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -5.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3883 1.3747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 -4.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3614 4.5852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 -4.2399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3751 5.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6459 5.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 -4.4673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -5.1576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6795 5.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -8.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4595 1.4538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8008 2.2098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -6.9216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -6.6639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2493 3.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0848 -8.2114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8850 1.1148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7096 1.0252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -5.9646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -5.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6821 4.0598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7713 4.8530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -8.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -8.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9006 6.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8297 6.1938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -5.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -5.5106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0879 3.8274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4046 3.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9541 2.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 -4.0499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -3.4299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 -4.0499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8242 2.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 -3.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9092 5.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9984 6.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -8.6241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -8.6210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8657 6.2841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1866 5.7294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7413 5.0504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -5.5616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -4.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -5.5520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1318 8.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4052 7.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -5.9353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -6.6220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7910 7.8916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 -7.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3672 4.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 -3.2399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3414 0.4189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9347 0.9512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 -4.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 -3.6758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6421 2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9578 -8.7013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4252 3.1474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5496 3.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5022 2.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 -2.6363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 -2.5889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 -3.4644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3795 8.7013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.7902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3218 1.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7286 0.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 -2.0183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 -2.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24 2 1 1 0 0 0 2118 1 0 0 0 0 25 3 1 6 0 0 0 3119 1 0 0 0 0 32 4 1 1 0 0 0 4124 1 0 0 0 0 33 5 1 6 0 0 0 5125 1 0 0 0 0 50 6 1 1 0 0 0 6132 1 0 0 0 0 51 7 1 6 0 0 0 7133 1 0 0 0 0 8 58 1 0 0 0 0 9 58 2 0 0 0 0 10 59 1 0 0 0 0 11 59 2 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 12 24 1 0 0 0 0 12 40 1 6 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 13 25 1 0 0 0 0 13 41 1 1 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 14 60 1 1 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 15 61 1 6 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 16 62 1 6 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 17 63 1 1 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 18 64 1 1 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 19 65 1 6 0 0 0 20 28 1 0 0 0 0 20 38 1 0 0 0 0 20 46 1 6 0 0 0 21 29 1 0 0 0 0 21 39 1 0 0 0 0 21 47 1 1 0 0 0 22 34 1 0 0 0 0 22 42 1 0 0 0 0 22 66 1 1 0 0 0 23 35 1 0 0 0 0 23 43 1 0 0 0 0 23 67 1 6 0 0 0 24 26 1 0 0 0 0 24 68 1 0 0 0 0 25 27 1 0 0 0 0 25 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 36 1 0 0 0 0 28 44 1 0 0 0 0 28 74 1 6 0 0 0 29 37 1 0 0 0 0 29 45 1 0 0 0 0 29 75 1 1 0 0 0 30 34 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 31 35 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 36 1 0 0 0 0 32 80 1 0 0 0 0 33 37 1 0 0 0 0 33 81 1 0 0 0 0 34 82 1 0 0 0 0 34 83 1 0 0 0 0 35 84 1 0 0 0 0 35 85 1 0 0 0 0 36 86 1 0 0 0 0 36 87 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 38 48 1 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 39 49 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 40 94 1 0 0 0 0 40 95 1 0 0 0 0 40 96 1 0 0 0 0 41 97 1 0 0 0 0 41 98 1 0 0 0 0 41 99 1 0 0 0 0 42 52 1 0 0 0 0 42 54 1 1 0 0 0 42100 1 0 0 0 0 43 53 1 0 0 0 0 43 55 1 6 0 0 0 43101 1 0 0 0 0 44 50 1 0 0 0 0 44102 1 0 0 0 0 44103 1 0 0 0 0 45 51 1 0 0 0 0 45104 1 0 0 0 0 45105 1 0 0 0 0 46106 1 0 0 0 0 46107 1 0 0 0 0 46108 1 0 0 0 0 47109 1 0 0 0 0 47110 1 0 0 0 0 47111 1 0 0 0 0 48 50 1 0 0 0 0 48112 1 0 0 0 0 48113 1 0 0 0 0 49 51 1 0 0 0 0 49114 1 0 0 0 0 49115 1 0 0 0 0 50116 1 0 0 0 0 51117 1 0 0 0 0 52 56 1 0 0 0 0 52120 1 0 0 0 0 52121 1 0 0 0 0 53 57 1 0 0 0 0 53122 1 0 0 0 0 53123 1 0 0 0 0 54126 1 0 0 0 0 54127 1 0 0 0 0 54128 1 0 0 0 0 55129 1 0 0 0 0 55130 1 0 0 0 0 55131 1 0 0 0 0 56 58 1 0 0 0 0 56134 1 0 0 0 0 56135 1 0 0 0 0 57 59 1 0 0 0 0 57136 1 0 0 0 0 57137 1 0 0 0 0 M CHG 3 1 2 8 -1 10 -1 M END > 70678336 > 1 > 631 > 10 > 6 > 6 > AAADcfB8PAAAACAAAAAAAAAAAAAAAYMAAAAwYMGDAAAAAGDAAAAAGgAACAAADxSggAICCAAAAgAIAACQCAAAAAAAAAAAAAEAAAAAEBIAAAAAQAAEAAAAAAGI6PSPgAAAAAAAAADAAAYAADAAAQAACAAAAA== > magnesium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate > magnesium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate > magnesium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate > magnesium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate > magnesium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate > magnesium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valerate > InChI=1S/2C24H40O5.Mg/c2*1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h2*13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);/q;;+2/p-2/t2*13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m11./s1 > CWUPQTAEURWCDT-XZPRSJKYSA-L > 838.5445404 > C48H78MgO10 > 839.4 > CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Mg+2] > C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Mg+2] > 202 > 838.5445404 > 0 > 59 > 22 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 12 40 6 13 41 5 14 60 5 15 61 6 16 62 6 17 63 5 18 64 5 19 65 6 24 2 5 20 46 6 21 47 5 22 66 5 23 67 6 28 74 6 29 75 5 25 3 6 32 4 5 42 54 5 43 55 6 33 5 6 50 6 5 51 7 6 $$$$