9962915 -OEChem-05052423002D 127133 0 1 0 0 0 0 0999 V2000 8.0918 1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9578 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 16.3182 6.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4387 10.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 5.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5591 11.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 7.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3186 12.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 5.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 7.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 7.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 4.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6899 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8238 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3144 7.9013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4503 7.3980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5823 7.8946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3105 8.9013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6743 7.3843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6703 6.3426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4426 9.3980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5785 8.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2556 9.2097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2618 7.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4704 6.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5744 5.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8423 8.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7453 7.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3067 9.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7370 5.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6782 8.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7994 7.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 6.3282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5626 10.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9731 10.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5130 10.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5108 11.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 6.3282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1972 5.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 6.3282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1972 7.8282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3312 7.3282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1972 8.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 7.3282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5991 6.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.8282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 7.3282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 6.3282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 7.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.3282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1350 7.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.8282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 6.3282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 7.3282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5369 5.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9578 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8238 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1913 6.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3168 8.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6768 5.4927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9044 9.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3642 9.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9683 8.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8677 9.3082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0129 7.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8003 7.2931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6906 5.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0791 6.4744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1789 5.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9771 5.3540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3047 7.9942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3015 8.8237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1517 8.4130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3535 8.4253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9267 9.9037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3043 10.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6867 9.8989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3415 5.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1398 5.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2981 8.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6805 9.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0582 8.3866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5926 7.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1882 7.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7965 5.7082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8564 6.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9006 10.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5114 11.3830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5132 10.5533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0153 10.1091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 5.7082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 5.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 5.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 6.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 8.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 7.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8172 8.8282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 9.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5772 8.8282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 5.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 7.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 5.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 6.4358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 5.5182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.7082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 8.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 8.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 7.2913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 4.5182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.7082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 7.2205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 7.9108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 8.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.7082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 6.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.5182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 5.2913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 9.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.5182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9578 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2268 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 60 1 0 0 0 0 2 60 1 0 0 0 0 19 3 1 1 0 0 0 3 90 1 0 0 0 0 25 4 1 1 0 0 0 4 91 1 0 0 0 0 37 5 1 1 0 0 0 42 5 1 1 0 0 0 6 39 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 7 45 1 0 0 0 0 8 41 2 0 0 0 0 44 9 1 6 0 0 0 9104 1 0 0 0 0 46 10 1 6 0 0 0 48 10 1 1 0 0 0 11 48 1 0 0 0 0 11 51 1 0 0 0 0 52 12 1 6 0 0 0 54 12 1 6 0 0 0 50 13 1 6 0 0 0 13114 1 0 0 0 0 14 54 1 0 0 0 0 14 57 1 0 0 0 0 56 15 1 1 0 0 0 15124 1 0 0 0 0 58 16 1 1 0 0 0 16125 1 0 0 0 0 17 61 1 0 0 0 0 17127 1 0 0 0 0 18 61 2 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 20 62 1 1 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 21 63 1 6 0 0 0 22 25 1 0 0 0 0 22 27 1 0 0 0 0 22 33 1 1 0 0 0 23 24 1 0 0 0 0 23 32 1 0 0 0 0 23 35 1 1 0 0 0 24 30 1 0 0 0 0 24 34 1 0 0 0 0 24 64 1 1 0 0 0 25 26 1 0 0 0 0 25 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 31 1 0 0 0 0 27 38 1 1 0 0 0 27 68 1 0 0 0 0 28 31 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 30 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 32 36 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 34 37 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 35 86 1 0 0 0 0 36 37 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 37 89 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 40 41 1 0 0 0 0 40 94 1 0 0 0 0 42 43 1 0 0 0 0 42 95 1 0 0 0 0 43 44 1 0 0 0 0 43 96 1 0 0 0 0 43 97 1 0 0 0 0 44 46 1 0 0 0 0 44 98 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 1 0 0 0 45 99 1 0 0 0 0 46100 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 47103 1 0 0 0 0 48 49 1 0 0 0 0 48105 1 0 0 0 0 49 50 1 0 0 0 0 49106 1 0 0 0 0 49107 1 0 0 0 0 50 52 1 0 0 0 0 50108 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 1 0 0 0 51109 1 0 0 0 0 52110 1 0 0 0 0 53111 1 0 0 0 0 53112 1 0 0 0 0 53113 1 0 0 0 0 54 55 1 0 0 0 0 54115 1 0 0 0 0 55 56 1 0 0 0 0 55116 1 0 0 0 0 55117 1 0 0 0 0 56 58 1 0 0 0 0 56118 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 6 0 0 0 57119 1 0 0 0 0 58120 1 0 0 0 0 59121 1 0 0 0 0 59122 1 0 0 0 0 59123 1 0 0 0 0 60 61 1 0 0 0 0 60126 1 0 0 0 0 M END > 9962915 > 1 > 1510 > 16 > 7 > 8 > AAADcfB8PgAGAAAAAAAAAAAAAAAAAYIAAAA0aNECAAAAAGDAAAAAGgIACAAAD1ewgMMCCAAABgCIAiDSCAAAAAAgAAAACAAAAUhRFAIAIQAiUAAFgAAPIQPA4PwPgAAAAAAAAADAAAYQADAAAYAADAAAAA== > 2,2-dichloroacetic acid;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 > 2,2-dichloroacetic acid;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 > 2,2-dichloroacetic acid;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 > 2,2-dichloroacetic acid;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 > 2,2-bis(chloranyl)ethanoic acid;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 > 2,2-dichloroacetic acid;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 > InChI=1S/C41H64O14.C2H2Cl2O2/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;3-1(4)2(5)6/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3;1H,(H,5,6)/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+;/m1./s1 > KSAALEHVJPIFTK-FZHNUIIGSA-N > 908.3727914 > C43H66Cl2O16 > 909.9 > 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.C(C(=O)O)(Cl)Cl > 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.C(C(=O)O)(Cl)Cl > 240 > 908.3727914 > 0 > 61 > 21 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 46 10 6 48 10 5 52 12 6 54 12 6 50 13 6 56 15 5 58 16 5 20 62 5 21 63 6 22 33 5 23 35 5 24 64 5 27 38 5 19 3 5 25 4 5 45 47 5 37 5 5 42 5 5 51 53 5 57 59 6 44 9 6 $$$$