441207 -OEChem-04252401452D 118125 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 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 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 16.5823 -0.3954 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 15.6743 -0.9058 0.0000 C 0 0 2 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 17.4426 1.1079 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 17.4704 -1.9335 0.0000 C 0 0 0 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 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 14.7370 -2.5007 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 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 12.0632 -1.9619 0.0000 C 0 0 2 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 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 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 17.8393 1.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0422 1.5813 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 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 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 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 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 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 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 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 14 1 1 1 0 0 0 1 84 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 6 97 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 10107 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 12117 1 0 0 0 0 53 13 1 1 0 0 0 13118 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 55 1 1 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 16 56 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 57 1 1 0 0 0 20 21 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 26 1 0 0 0 0 22 33 1 1 0 0 0 22 62 1 0 0 0 0 23 25 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 26 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 31 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 32 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 30 80 1 0 0 0 0 31 32 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 32 83 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 35 37 1 0 0 0 0 35 87 1 0 0 0 0 36 38 1 0 0 0 0 36 88 1 0 0 0 0 38 39 1 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 39 41 1 0 0 0 0 39 91 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 1 0 0 0 40 92 1 0 0 0 0 41 93 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 43 44 1 0 0 0 0 43 98 1 0 0 0 0 44 45 1 0 0 0 0 44 99 1 0 0 0 0 44100 1 0 0 0 0 45 47 1 0 0 0 0 45101 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 1 0 0 0 46102 1 0 0 0 0 47103 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 48106 1 0 0 0 0 49 50 1 0 0 0 0 49108 1 0 0 0 0 50 51 1 0 0 0 0 50109 1 0 0 0 0 50110 1 0 0 0 0 51 53 1 0 0 0 0 51111 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 6 0 0 0 52112 1 0 0 0 0 53113 1 0 0 0 0 54114 1 0 0 0 0 54115 1 0 0 0 0 54116 1 0 0 0 0 M END > 441207 > 1 > 1410 > 13 > 5 > 7 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAYIAAAA0aNECAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSCAAAAAAgAAAACAAAAEgRFAIAIQAiUAAFgAAPIQPA4PwPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > 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 > 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 > 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 > 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 > 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 > 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 > InChI=1S/C41H64O13/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/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1 > WDJUZGPOPHTGOT-XUDUSOBPSA-N > 2.3 > 764.43469209 > C41H64O13 > 764.9 > 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 > 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 > 764.43469209 > 0 > 54 > 20 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 1 5 45 10 6 51 12 5 53 13 5 15 55 5 16 56 6 17 29 5 18 30 5 19 57 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 $$$$