65598 -OEChem-05112401562D 129136 0 1 0 0 0 0 0999 V2000 15.8895 -2.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8440 -5.7003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0271 -6.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3068 -6.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3407 -6.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 5.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 5.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0216 -3.2562 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.0254 -2.2562 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1536 -3.7529 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1613 -1.7529 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1493 -0.7113 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.0493 -0.1871 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3591 -4.7255 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2895 -3.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2934 -2.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7560 -3.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9374 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3474 -4.8324 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9494 -0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1994 -0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2857 -4.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0619 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2852 -1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1868 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.4440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.6884 -5.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8942 -6.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6941 -5.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2854 -6.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8440 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.9440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2583 3.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 4.4440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5263 2.9440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5263 3.9440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 2.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.9440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2583 5.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.4440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 3.9440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 2.9440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 4.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 3.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.4440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 3.9440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 2.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5587 -2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6971 -1.4408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5887 0.1188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5798 -5.3049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6794 -3.1396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0752 -3.8314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0836 -1.6661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6824 -2.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2913 -4.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1234 -3.4267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1397 -2.3390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5494 -1.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0079 -5.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5590 -0.8245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1652 -0.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5873 -0.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9971 -0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9777 -3.7114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7475 -4.5575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5936 -4.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6715 0.7847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2777 1.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9731 -0.6789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7495 -1.5268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5973 -1.7504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9710 1.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5772 0.7847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6619 1.7529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4252 -3.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1452 -7.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4843 -6.2555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3852 -4.8230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1561 -5.1684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 3.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 4.5266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 4.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 3.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 2.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 2.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 1.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 6.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 2.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 3.0516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 3.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 4.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 4.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 3.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 3.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 4.5266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 2.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 1.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 5.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 94 1 0 0 0 0 2 31 1 0 0 0 0 2 43 1 0 0 0 0 3 38 1 0 0 0 0 3 44 1 0 0 0 0 4 40 1 0 0 0 0 4 42 1 0 0 0 0 5 44 1 0 0 0 0 5 47 1 0 0 0 0 6 42 2 0 0 0 0 7 43 2 0 0 0 0 8 46 1 0 0 0 0 8 51 1 0 0 0 0 9 48 1 0 0 0 0 9 50 1 0 0 0 0 10 50 1 0 0 0 0 10 54 1 0 0 0 0 11 51 2 0 0 0 0 12 53 1 0 0 0 0 12 60 1 0 0 0 0 13 55 1 0 0 0 0 13 57 1 0 0 0 0 14 57 1 0 0 0 0 14 61 1 0 0 0 0 15 59 1 0 0 0 0 15 64 1 0 0 0 0 16 62 1 0 0 0 0 16 65 1 0 0 0 0 17 60 2 0 0 0 0 18 64 2 0 0 0 0 19 65 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 29 1 0 0 0 0 21 23 1 0 0 0 0 21 30 1 0 0 0 0 21 66 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 23 67 1 0 0 0 0 24 25 1 0 0 0 0 24 33 1 0 0 0 0 24 36 1 0 0 0 0 25 32 1 0 0 0 0 25 35 1 0 0 0 0 25 68 1 0 0 0 0 26 31 1 0 0 0 0 26 39 1 0 0 0 0 26 69 1 0 0 0 0 27 28 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 31 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 32 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 31 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 37 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 35 38 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 36 88 1 0 0 0 0 36 89 1 0 0 0 0 36 90 1 0 0 0 0 37 38 1 0 0 0 0 37 91 1 0 0 0 0 37 92 1 0 0 0 0 38 93 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 40 95 1 0 0 0 0 40 96 1 0 0 0 0 41 42 1 0 0 0 0 41 97 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 45 46 1 0 0 0 0 45100 1 0 0 0 0 45101 1 0 0 0 0 46 48 1 0 0 0 0 46102 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47103 1 0 0 0 0 48104 1 0 0 0 0 49105 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 51109 1 0 0 0 0 52 53 1 0 0 0 0 52110 1 0 0 0 0 52111 1 0 0 0 0 53 55 1 0 0 0 0 53112 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 54113 1 0 0 0 0 55114 1 0 0 0 0 56115 1 0 0 0 0 56116 1 0 0 0 0 56117 1 0 0 0 0 57 58 1 0 0 0 0 57118 1 0 0 0 0 58 59 1 0 0 0 0 58119 1 0 0 0 0 58120 1 0 0 0 0 59 62 1 0 0 0 0 59121 1 0 0 0 0 60122 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 61123 1 0 0 0 0 62124 1 0 0 0 0 63125 1 0 0 0 0 63126 1 0 0 0 0 63127 1 0 0 0 0 64128 1 0 0 0 0 65129 1 0 0 0 0 M END > 65598 > 1 > 1780 > 19 > 1 > 17 > AAADcfB8PgAAAAAAAAAAAAAAAAAAAYIAAAA0aNECAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSiAAAAAAgAAAACAAAAEgRBAIAIQAiUAAFwAAOIQPA4PwPgAAAAAAAAADAAAYAADAAAYQADAAAAA== > [3-[5-(4,5-diformyloxy-6-methyl-tetrahydropyran-2-yl)oxy-4-formyloxy-6-methyl-tetrahydropyran-2-yl]oxy-6-[[16-formyloxy-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-3-yl]oxy]-2-methyl-tetrahydropyran-4-yl] formate > formic acid [3-[[5-[(4,5-diformyloxy-6-methyl-2-oxanyl)oxy]-4-formyloxy-6-methyl-2-oxanyl]oxy]-6-[[16-formyloxy-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-3-yl]oxy]-2-methyl-4-oxanyl] ester > [3-[5-(4,5-diformyloxy-6-methyloxan-2-yl)oxy-4-formyloxy-6-methyloxan-2-yl]oxy-6-[[16-formyloxy-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-3-yl]oxy]-2-methyloxan-4-yl] formate > [3-[5-(4,5-diformyloxy-6-methyloxan-2-yl)oxy-4-formyloxy-6-methyloxan-2-yl]oxy-6-[[16-formyloxy-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-3-yl]oxy]-2-methyloxan-4-yl] formate > [3-[5-(4,5-dimethanoyloxy-6-methyl-oxan-2-yl)oxy-4-methanoyloxy-6-methyl-oxan-2-yl]oxy-6-[[16-methanoyloxy-10,13-dimethyl-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-3-yl]oxy]-2-methyl-oxan-4-yl] methanoate > formic acid [3-[5-(4,5-diformyloxy-6-methyl-tetrahydropyran-2-yl)oxy-4-formyloxy-6-methyl-tetrahydropyran-2-yl]oxy-6-[[16-formyloxy-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-3-yl]oxy]-2-methyl-tetrahydropyran-4-yl] ester > InChI=1S/C46H64O19/c1-24-41(59-23-51)32(55-19-47)14-38(60-24)64-43-26(3)62-39(16-34(43)57-21-49)65-42-25(2)61-37(15-33(42)56-20-48)63-29-8-10-44(4)28(13-29)6-7-31-30(44)9-11-45(5)40(27-12-36(52)54-18-27)35(58-22-50)17-46(31,45)53/h12,19-26,28-35,37-43,53H,6-11,13-18H2,1-5H3 > DOMHWKQEPDYUQX-UHFFFAOYSA-N > 4 > 920.40417981 > C46H64O19 > 921.0 > CC1C(C(CC(O1)OC2C(OC(CC2OC=O)OC3C(OC(CC3OC=O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)OC=O)O)C)C)C)C)OC=O)OC=O > CC1C(C(CC(O1)OC2C(OC(CC2OC=O)OC3C(OC(CC3OC=O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)OC=O)O)C)C)C)C)OC=O)OC=O > 233 > 920.40417981 > 0 > 65 > 0 > 21 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 1 3 53 12 3 55 13 3 57 13 3 59 15 3 62 16 3 31 2 3 21 30 3 22 34 3 23 28 3 24 36 3 25 32 3 26 39 3 38 3 3 44 3 3 47 49 3 54 56 3 61 63 3 46 8 3 48 9 3 50 9 3 $$$$