70678335 -OEChem-05112421262D 138142 0 1 0 0 0 0 0999 V2000 10.7425 7.4264 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.7425 16.8908 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.0628 14.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0628 5.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9506 10.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9506 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 10.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 0.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7640 16.6846 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7640 7.2202 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.1212 14.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1212 5.5253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9288 13.1159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9288 3.6514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9288 12.1159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9288 2.6514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0628 11.6159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0628 2.1514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1968 12.1159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1968 2.6514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2868 11.6090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2868 2.1446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8750 13.4206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8750 3.9562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0628 13.6159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0628 4.1514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1968 13.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1968 3.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2787 10.5674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2787 1.1030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8750 11.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 2.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0788 10.5744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0789 1.1099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4586 12.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4586 3.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1808 10.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1808 0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3599 12.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3599 2.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9288 14.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9288 4.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1857 14.3711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1857 4.9067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3433 10.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3433 0.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2945 12.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2945 3.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 11.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 2.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 10.5602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4037 1.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1642 14.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1642 5.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5179 15.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5179 5.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4749 15.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4749 6.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4534 15.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4534 6.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0188 11.2706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0188 1.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 11.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 1.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9329 12.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9329 3.0764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7148 13.5525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7148 4.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5259 13.9259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5259 4.4614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9847 13.6985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5862 13.0082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9847 4.2340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5862 3.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 9.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 0.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6240 11.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4124 11.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6240 1.7798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4124 2.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0848 9.9544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6116 1.4271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9195 12.2011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9195 13.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9195 2.7367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9195 3.5662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7835 9.5706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5818 9.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7835 0.1062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5818 0.1093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7681 12.6398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 12.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7681 3.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 3.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5488 14.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9288 14.7359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3088 14.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5488 4.6514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9288 5.2714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3088 4.6514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3783 14.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3783 5.4960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 9.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 9.5448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 0.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 0.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9145 12.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2993 13.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6745 12.6138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9145 3.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2993 3.7645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6745 3.1493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2075 12.2305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8004 11.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2075 2.7660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8004 2.0793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4025 9.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8685 1.4088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5259 14.9259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5259 5.4614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1848 13.9577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7780 14.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1848 4.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7780 5.0255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9578 9.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9578 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9793 15.5295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1038 15.5769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0564 14.7014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9793 6.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1038 6.1124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0564 5.2369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4543 16.1475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8611 15.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4543 6.6831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8611 6.1508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25 3 1 6 0 0 0 3119 1 0 0 0 0 26 4 1 6 0 0 0 4120 1 0 0 0 0 33 5 1 6 0 0 0 5125 1 0 0 0 0 34 6 1 6 0 0 0 6126 1 0 0 0 0 51 7 1 6 0 0 0 7133 1 0 0 0 0 52 8 1 6 0 0 0 8134 1 0 0 0 0 9 59 1 0 0 0 0 10 60 1 0 0 0 0 11 59 2 0 0 0 0 12 60 2 0 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 24 1 0 0 0 0 14 26 1 0 0 0 0 14 42 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 34 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 22 1 0 0 0 0 20 28 1 0 0 0 0 20 66 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 30 1 0 0 0 0 22 40 1 0 0 0 0 22 48 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 36 1 0 0 0 0 24 44 1 0 0 0 0 24 68 1 6 0 0 0 25 27 1 0 0 0 0 25 69 1 0 0 0 0 26 28 1 0 0 0 0 26 70 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 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 38 1 0 0 0 0 30 46 1 0 0 0 0 30 76 1 1 0 0 0 31 35 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 32 36 1 0 0 0 0 32 79 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 38 1 0 0 0 0 34 82 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 39 49 1 0 0 0 0 39 91 1 0 0 0 0 39 92 1 0 0 0 0 40 50 1 0 0 0 0 40 93 1 0 0 0 0 40 94 1 0 0 0 0 41 95 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 42 98 1 0 0 0 0 42 99 1 0 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 54 1 0 0 0 0 44 56 1 6 0 0 0 44102 1 0 0 0 0 45 51 1 0 0 0 0 45103 1 0 0 0 0 45104 1 0 0 0 0 46 52 1 0 0 0 0 46105 1 0 0 0 0 46106 1 0 0 0 0 47107 1 0 0 0 0 47108 1 0 0 0 0 47109 1 0 0 0 0 48110 1 0 0 0 0 48111 1 0 0 0 0 48112 1 0 0 0 0 49 51 1 0 0 0 0 49113 1 0 0 0 0 49114 1 0 0 0 0 50 52 1 0 0 0 0 50115 1 0 0 0 0 50116 1 0 0 0 0 51117 1 0 0 0 0 52118 1 0 0 0 0 53 57 1 0 0 0 0 53121 1 0 0 0 0 53122 1 0 0 0 0 54 58 1 0 0 0 0 54123 1 0 0 0 0 54124 1 0 0 0 0 55127 1 0 0 0 0 55128 1 0 0 0 0 55129 1 0 0 0 0 56130 1 0 0 0 0 56131 1 0 0 0 0 56132 1 0 0 0 0 57 59 1 0 0 0 0 57135 1 0 0 0 0 57136 1 0 0 0 0 58 60 1 0 0 0 0 58137 1 0 0 0 0 58138 1 0 0 0 0 M CHG 4 1 1 2 1 9 -1 10 -1 M END > 70678335 > 1 > 631 > 10 > 6 > 6 > AAADcfB8PDAAAAAAAAAAAAAAAAAAAYMAAAAwYMGDAAAAAGDAAAAAGgAACAAADxSggAICCAAAAgAIAACQCAAAAAAAAAAAAAEAAAAAEBIAAAAAQAAEAAAAAAGI6PSPgAAAAAAAAADAAAYAADAAAQAACAAAAA== > disodium;(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 > disodium;(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 > disodium;(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 > disodium;(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 > disodium;(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 > disodium;(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/2C24H40O5.2Na/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*+1/p-2/t2*13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;;/m11../s1 > XANIYHOIFJSDJU-AVQJUQFHSA-L > 860.53903724 > C48H78Na2O10 > 861.1 > 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.[Na+].[Na+] > 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.[Na+].[Na+] > 202 > 860.53903724 > 0 > 60 > 22 > 0 > 0 > 0 > 0 > 4 > -1 > 1 5 255 > 13 41 5 14 42 5 15 61 6 16 62 6 17 63 5 18 64 5 19 65 6 20 66 6 21 47 5 22 48 5 23 67 6 24 68 6 29 75 5 25 3 6 30 76 5 26 4 6 43 55 6 44 56 6 33 5 6 34 6 6 51 7 6 52 8 6 $$$$