70679120 -OEChem-04232415572D 124131 0 1 0 0 0 0 0999 V2000 18.3182 -1.3888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4387 2.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5591 3.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.9619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7067 2.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3186 3.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3144 -0.3888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4503 -0.8921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3105 0.6112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5823 -0.3954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6743 -0.9058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4426 1.1079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6703 -1.9474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5785 0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2556 0.9196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2618 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4704 -1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5744 -2.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8423 0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7453 -0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3067 1.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7370 -2.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6782 0.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7994 -0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.9619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5626 1.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9731 2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5130 2.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5708 2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5108 3.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.9619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5669 3.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.9619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -0.4619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -0.9619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 0.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.9619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -1.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.4619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.9619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -1.9619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -1.9619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.9619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 -2.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1913 -1.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3168 0.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9044 1.4158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6768 -2.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3642 1.1864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9683 0.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8677 1.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0129 -1.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8003 -0.9970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6906 -2.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0791 -1.8157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1789 -2.9422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9771 -2.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3047 -0.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3015 0.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1517 0.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3535 0.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9267 1.6136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3043 2.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6867 1.6088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3415 -2.9782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1398 -2.9721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2981 0.0918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6805 0.7142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0582 0.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5926 -0.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1882 -0.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2589 -1.6508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8564 -1.6967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5114 3.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5132 2.2633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0153 1.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1869 3.6069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5645 4.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9469 3.6022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -2.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 -2.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -0.1519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.2719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8172 0.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.1581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5772 0.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -2.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 -1.8542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -2.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 0.0751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -0.9988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -3.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -1.0695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -0.3793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.1519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -1.9249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -2.9988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 1 0 0 0 1 87 1 0 0 0 0 21 2 1 1 0 0 0 2 38 1 0 0 0 0 34 3 1 1 0 0 0 40 3 1 1 0 0 0 4 36 1 0 0 0 0 4 39 1 0 0 0 0 5 40 1 0 0 0 0 5 44 1 0 0 0 0 6 38 2 0 0 0 0 7 39 2 0 0 0 0 43 8 1 6 0 0 0 8103 1 0 0 0 0 45 9 1 6 0 0 0 47 9 1 1 0 0 0 10 47 1 0 0 0 0 10 50 1 0 0 0 0 51 11 1 6 0 0 0 53 11 1 6 0 0 0 49 12 1 6 0 0 0 12113 1 0 0 0 0 13 53 1 0 0 0 0 13 56 1 0 0 0 0 55 14 1 1 0 0 0 14123 1 0 0 0 0 57 15 1 1 0 0 0 15124 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 17 59 1 1 0 0 0 18 21 1 0 0 0 0 18 24 1 0 0 0 0 18 30 1 1 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 60 1 6 0 0 0 20 22 1 0 0 0 0 20 29 1 0 0 0 0 20 32 1 1 0 0 0 21 23 1 0 0 0 0 21 61 1 0 0 0 0 22 27 1 0 0 0 0 22 31 1 0 0 0 0 22 62 1 1 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 28 1 0 0 0 0 24 35 1 1 0 0 0 24 65 1 0 0 0 0 25 28 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 27 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 33 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 34 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 33 34 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 34 86 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 88 1 0 0 0 0 36 89 1 0 0 0 0 37 39 1 0 0 0 0 37 90 1 0 0 0 0 38 41 1 0 0 0 0 40 42 1 0 0 0 0 40 91 1 0 0 0 0 41 92 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 42 43 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 43 45 1 0 0 0 0 43 97 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 1 0 0 0 44 98 1 0 0 0 0 45 99 1 0 0 0 0 46100 1 0 0 0 0 46101 1 0 0 0 0 46102 1 0 0 0 0 47 48 1 0 0 0 0 47104 1 0 0 0 0 48 49 1 0 0 0 0 48105 1 0 0 0 0 48106 1 0 0 0 0 49 51 1 0 0 0 0 49107 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 1 0 0 0 50108 1 0 0 0 0 51109 1 0 0 0 0 52110 1 0 0 0 0 52111 1 0 0 0 0 52112 1 0 0 0 0 53 54 1 0 0 0 0 53114 1 0 0 0 0 54 55 1 0 0 0 0 54115 1 0 0 0 0 54116 1 0 0 0 0 55 57 1 0 0 0 0 55117 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 6 0 0 0 56118 1 0 0 0 0 57119 1 0 0 0 0 58120 1 0 0 0 0 58121 1 0 0 0 0 58122 1 0 0 0 0 M END > 70679120 > 1 > 1560 > 15 > 5 > 9 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAYIAAAA0aNECAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSCAAAAAAgAAAACAAAAEgRFAIAIQAiUAAFgAAPIQPA4PwPgAAAAAAAAADAAAYQADAAAYAADAAAAA== > [(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] acetate > acetic acid [(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[[(2R,4S,5S,6R)-5-[[(2S,4S,5S,6R)-5-[[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] ester > [(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] acetate > [(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] acetate > [(3S,5R,8R,9S,10S,12R,13S,14S,17R)-10,13-dimethyl-3-[(2R,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] ethanoate > acetic acid [(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] ester > InChI=1S/C43H66O15/c1-20-38(49)30(45)16-36(52-20)57-40-22(3)54-37(18-32(40)47)58-39-21(2)53-35(17-31(39)46)56-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(55-23(4)44)42(6)27(10-12-43(28,42)50)24-13-34(48)51-19-24/h13,20-22,25-33,35-40,45-47,49-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27-,28-,29+,30+,31+,32+,33-,35+,36+,37+,38-,39-,40-,41+,42+,43+/m1/s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