70678330 -OEChem-04262413022D 122128 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 15.4387 5.8797 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 9.6593 10.0628 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.5253 10.5628 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 8.7933 9.5628 0.0000 N 0 5 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 15.4426 4.8797 0.0000 C 0 0 1 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 17.2556 4.6915 0.0000 C 0 0 2 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 15.4704 1.8383 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 16.3067 5.3831 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 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 18.5108 6.9542 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 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 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 14.9044 5.1877 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 17.8677 4.7900 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 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 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 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 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 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 14.9006 6.1877 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 18 1 1 1 0 0 0 1 87 1 0 0 0 0 24 2 1 1 0 0 0 2 88 1 0 0 0 0 36 3 1 1 0 0 0 41 3 1 1 0 0 0 4 38 1 0 0 0 0 4 40 1 0 0 0 0 5 41 1 0 0 0 0 5 44 1 0 0 0 0 6 40 2 0 0 0 0 43 7 1 6 0 0 0 7101 1 0 0 0 0 45 8 1 6 0 0 0 47 8 1 1 0 0 0 9 47 1 0 0 0 0 9 50 1 0 0 0 0 51 10 1 6 0 0 0 53 10 1 6 0 0 0 49 11 1 6 0 0 0 11111 1 0 0 0 0 12 53 1 0 0 0 0 12 56 1 0 0 0 0 55 13 1 1 0 0 0 13121 1 0 0 0 0 57 14 1 1 0 0 0 14122 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 19 59 1 1 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 20 60 1 6 0 0 0 21 24 1 0 0 0 0 21 26 1 0 0 0 0 21 32 1 1 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 22 34 1 1 0 0 0 23 29 1 0 0 0 0 23 33 1 0 0 0 0 23 61 1 1 0 0 0 24 25 1 0 0 0 0 24 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 30 1 0 0 0 0 26 37 1 1 0 0 0 26 65 1 0 0 0 0 27 30 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 29 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 35 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 33 36 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 34 83 1 0 0 0 0 35 36 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 37 38 1 0 0 0 0 37 39 2 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 39 40 1 0 0 0 0 39 91 1 0 0 0 0 41 42 1 0 0 0 0 41 92 1 0 0 0 0 42 43 1 0 0 0 0 42 93 1 0 0 0 0 42 94 1 0 0 0 0 43 45 1 0 0 0 0 43 95 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 1 0 0 0 44 96 1 0 0 0 0 45 97 1 0 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 46100 1 0 0 0 0 47 48 1 0 0 0 0 47102 1 0 0 0 0 48 49 1 0 0 0 0 48103 1 0 0 0 0 48104 1 0 0 0 0 49 51 1 0 0 0 0 49105 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 1 0 0 0 50106 1 0 0 0 0 51107 1 0 0 0 0 52108 1 0 0 0 0 52109 1 0 0 0 0 52110 1 0 0 0 0 53 54 1 0 0 0 0 53112 1 0 0 0 0 54 55 1 0 0 0 0 54113 1 0 0 0 0 54114 1 0 0 0 0 55 57 1 0 0 0 0 55115 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 6 0 0 0 56116 1 0 0 0 0 57117 1 0 0 0 0 58118 1 0 0 0 0 58119 1 0 0 0 0 58120 1 0 0 0 0 M CHG 3 15 1 16 -1 17 -1 M END > 70678330 > 1 > 1460 > 16 > 6 > 7 > AAADcfB/PAAAAAAAAAAAAAAAAAAAAYIAAAA0aNECAAAAAGDAAAAAGgAICAAAD1SwgAMCCAAABgCKAiDSCAAAAAAgAAAACAAAAEgRFAIAIQAiUAAFgAAPIQPA4PwPgAAAAAAAAADAAAYQADAAAYAADAAAAA== > 3-[(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-12,14-dihydroxy-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;azide > 3-[(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]-12,14-dihydroxy-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;azide > 3-[(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-12,14-dihydroxy-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;azide > 3-[(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-12,14-dihydroxy-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;azide > 3-[(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-12,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;azide > 3-[(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-12,14-dihydroxy-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;azide > InChI=1S/C41H64O14.N3/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22;1-3-2/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3;/q;-1/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+;/m1./s1 > FTUBAABTULYDCA-FZHNUIIGSA-N > 822.43882872 > C41H64N3O14- > 823.0 > CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O.[N-]=[N+]=[N-] > 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]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O.[N-]=[N+]=[N-] > 206 > 822.43882872 > -1 > 58 > 21 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 18 1 5 51 10 6 53 10 6 49 11 6 55 13 5 57 14 5 19 59 5 24 2 5 20 60 6 21 32 5 22 34 5 23 61 5 26 37 5 36 3 5 41 3 5 44 46 5 50 52 5 56 58 6 43 7 6 45 8 6 47 8 5 $$$$