70457336 -OEChem-04242422002D 127133 0 1 0 0 0 0 0999 V2000 16.3182 2.3831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5591 7.2612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3186 7.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3144 3.3831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4503 2.8798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5823 3.3764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3105 4.3831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6743 2.8661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6703 1.8244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5785 4.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4426 4.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2556 4.6915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4704 1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2618 3.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5744 1.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8423 3.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7453 3.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7370 1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3067 5.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6782 3.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7994 2.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5626 5.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9731 6.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5130 5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5108 6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1972 3.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3312 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1972 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 2.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5991 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1350 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5369 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5253 10.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6593 10.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7933 10.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1913 2.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3168 3.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6768 0.9745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3642 4.9582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9683 4.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8393 5.3562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0422 5.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8677 4.7900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6906 1.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0791 1.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0129 2.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8003 2.7749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1789 0.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9771 0.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3047 3.4760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3015 4.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1517 3.8948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3535 3.9071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3415 0.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1398 0.7998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9267 5.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3043 6.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6867 5.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2981 3.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6805 4.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0582 3.8685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5926 3.4795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1882 2.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2589 2.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8564 2.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5114 6.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5132 6.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0153 5.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8172 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5772 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 1.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 2.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8353 10.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0623 10.9931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2153 11.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6593 9.5631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7933 11.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2563 10.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 1 0 0 0 1 87 1 0 0 0 0 32 2 1 1 0 0 0 36 2 1 1 0 0 0 3 34 1 0 0 0 0 3 37 1 0 0 0 0 4 36 1 0 0 0 0 4 40 1 0 0 0 0 5 37 2 0 0 0 0 39 6 1 6 0 0 0 6100 1 0 0 0 0 41 7 1 6 0 0 0 43 7 1 1 0 0 0 8 43 1 0 0 0 0 8 46 1 0 0 0 0 47 9 1 6 0 0 0 49 9 1 6 0 0 0 45 10 1 6 0 0 0 10110 1 0 0 0 0 11 49 1 0 0 0 0 11 52 1 0 0 0 0 51 12 1 1 0 0 0 12120 1 0 0 0 0 53 13 1 1 0 0 0 13121 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 15 58 1 1 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 16 59 1 6 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 29 1 1 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 18 30 1 1 0 0 0 19 25 1 0 0 0 0 19 28 1 0 0 0 0 19 60 1 1 0 0 0 20 21 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 22 26 1 0 0 0 0 22 33 1 1 0 0 0 22 65 1 0 0 0 0 23 25 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 26 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 27 31 1 0 0 0 0 27 74 1 0 0 0 0 27 75 1 0 0 0 0 28 32 1 0 0 0 0 28 76 1 0 0 0 0 28 77 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 29 80 1 0 0 0 0 30 81 1 0 0 0 0 30 82 1 0 0 0 0 30 83 1 0 0 0 0 31 32 1 0 0 0 0 31 84 1 0 0 0 0 31 85 1 0 0 0 0 32 86 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 34 88 1 0 0 0 0 34 89 1 0 0 0 0 35 37 1 0 0 0 0 35 90 1 0 0 0 0 36 38 1 0 0 0 0 36 91 1 0 0 0 0 38 39 1 0 0 0 0 38 92 1 0 0 0 0 38 93 1 0 0 0 0 39 41 1 0 0 0 0 39 94 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 1 0 0 0 40 95 1 0 0 0 0 41 96 1 0 0 0 0 42 97 1 0 0 0 0 42 98 1 0 0 0 0 42 99 1 0 0 0 0 43 44 1 0 0 0 0 43101 1 0 0 0 0 44 45 1 0 0 0 0 44102 1 0 0 0 0 44103 1 0 0 0 0 45 47 1 0 0 0 0 45104 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 1 0 0 0 46105 1 0 0 0 0 47106 1 0 0 0 0 48107 1 0 0 0 0 48108 1 0 0 0 0 48109 1 0 0 0 0 49 50 1 0 0 0 0 49111 1 0 0 0 0 50 51 1 0 0 0 0 50112 1 0 0 0 0 50113 1 0 0 0 0 51 53 1 0 0 0 0 51114 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 6 0 0 0 52115 1 0 0 0 0 53116 1 0 0 0 0 54117 1 0 0 0 0 54118 1 0 0 0 0 54119 1 0 0 0 0 55 56 1 0 0 0 0 55122 1 0 0 0 0 55123 1 0 0 0 0 55124 1 0 0 0 0 56 57 2 0 0 0 0 56125 1 0 0 0 0 57126 1 0 0 0 0 57127 1 0 0 0 0 M END > 70457336 > 1 > 1420 > 13 > 5 > 7 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAYIAAAA0aNECAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSCAAAAAAgAAAICAAAAEgRFAIAIQAiUAAFgAAPIQPA4PwPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > 3-[(3S,5R,8R,9S,10S,13R,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-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;prop-1-ene > 3-[(3S,5R,8R,9S,10S,13R,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-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;1-propene > 3-[(3S,5R,8R,9S,10S,13R,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-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;prop-1-ene > 3-[(3S,5R,8R,9S,10S,13R,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-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;prop-1-ene > 3-[(3S,5R,8R,9S,10S,13R,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-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;prop-1-ene > 3-[(3S,5R,8R,9S,10S,13R,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-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;prop-1-ene > InChI=1S/C41H64O13.C3H6/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23;1-3-2/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3;3H,1H2,2H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+;/m1./s1 > MTNZZXLLFRVQJZ-BWMRPEBFSA-N > 806.48164228 > C44H70O13 > 807.0 > CC=C.CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O > CC=C.C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O > 183 > 806.48164228 > 0 > 57 > 20 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 14 1 5 45 10 6 51 12 5 53 13 5 15 58 5 16 59 6 17 29 5 18 30 5 19 60 5 32 2 5 36 2 5 22 33 5 40 42 5 46 48 5 52 54 6 39 6 6 41 7 6 43 7 5 47 9 6 49 9 6 $$$$