70693711 -OEChem-04262423022D 125131 0 1 0 0 0 0 0999 V2000 5.1350 -1.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3812 7.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4979 6.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -6.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -7.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2340 3.0574 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0980 2.5541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1101 1.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2378 4.0574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2100 0.9882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3220 2.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1975 -0.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1057 4.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1258 5.5955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9660 3.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0600 0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3298 4.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2298 6.1267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2498 3.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3258 5.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9698 4.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9742 2.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0726 -0.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2523 3.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0798 6.1124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2256 7.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1007 7.1972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1975 -0.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6908 -0.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1674 7.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3696 6.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9340 5.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9743 7.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -3.1428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -3.6428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -2.1428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -3.1428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.1428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -6.1428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -6.6428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -5.1428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -6.1428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 -1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8358 2.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4706 0.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1197 3.1402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 2.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7004 1.6257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0942 0.9313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8519 5.1536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1758 2.4673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5770 3.1560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 0.8892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2623 1.5743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7185 4.6715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1230 3.9833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3598 3.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6397 3.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1398 2.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6725 -0.9518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1144 6.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7153 5.5009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5080 4.3586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2862 1.4801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5099 2.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6621 2.5516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2883 -0.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6821 0.0165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 4.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6413 3.7823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3576 3.2766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0642 5.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0143 7.7946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6152 7.1032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1090 7.8172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2023 0.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5775 -0.0842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1927 -0.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1563 -0.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3767 -1.4934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2254 -1.2730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 8.2219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7719 8.2281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 5.0629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4636 5.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2563 6.1222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2760 7.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5159 7.9855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6726 8.2255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.5228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8479 7.9528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -3.9528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.5228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -2.8328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.2628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.5228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.9528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6412 -2.1798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -1.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0212 -1.1059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -6.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -4.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -4.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -7.9528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -7.2628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30 1 1 6 0 0 0 45 1 1 6 0 0 0 2 42 1 0 0 0 0 2105 1 0 0 0 0 3 42 2 0 0 0 0 4 45 1 0 0 0 0 4 48 1 0 0 0 0 46 5 1 1 0 0 0 5110 1 0 0 0 0 47 6 1 6 0 0 0 51 6 1 1 0 0 0 49 7 1 1 0 0 0 7111 1 0 0 0 0 8 50 1 0 0 0 0 8 56 1 0 0 0 0 9 50 2 0 0 0 0 10 51 1 0 0 0 0 10 54 1 0 0 0 0 52 11 1 6 0 0 0 11120 1 0 0 0 0 53 12 1 1 0 0 0 12123 1 0 0 0 0 55 13 1 1 0 0 0 13124 1 0 0 0 0 14 57 1 0 0 0 0 14125 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 15 29 1 6 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 16 58 1 1 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 17 33 1 6 0 0 0 18 23 1 0 0 0 0 18 27 1 0 0 0 0 18 35 1 1 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 59 1 1 0 0 0 20 21 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 30 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 32 2 0 0 0 0 24 28 1 0 0 0 0 24 36 1 0 0 0 0 24 64 1 6 0 0 0 25 32 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 34 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 31 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 31 1 0 0 0 0 28 37 1 0 0 0 0 28 42 1 6 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 34 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 77 1 0 0 0 0 33 78 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 35 83 1 0 0 0 0 35 84 1 0 0 0 0 35 85 1 0 0 0 0 36 38 1 0 0 0 0 36 43 1 6 0 0 0 36 86 1 0 0 0 0 37 41 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 38 41 1 0 0 0 0 38 44 1 1 0 0 0 38 89 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 39 92 1 0 0 0 0 40 93 1 0 0 0 0 40 94 1 0 0 0 0 40 95 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 43 98 1 0 0 0 0 43 99 1 0 0 0 0 43100 1 0 0 0 0 44101 1 0 0 0 0 44102 1 0 0 0 0 44103 1 0 0 0 0 45 46 1 0 0 0 0 45104 1 0 0 0 0 46 47 1 0 0 0 0 46106 1 0 0 0 0 47 49 1 0 0 0 0 47107 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 6 0 0 0 48108 1 0 0 0 0 49109 1 0 0 0 0 51 52 1 0 0 0 0 51112 1 0 0 0 0 52 53 1 0 0 0 0 52113 1 0 0 0 0 53 55 1 0 0 0 0 53114 1 0 0 0 0 54 55 1 0 0 0 0 54 57 1 1 0 0 0 54115 1 0 0 0 0 55116 1 0 0 0 0 56117 1 0 0 0 0 56118 1 0 0 0 0 56119 1 0 0 0 0 57121 1 0 0 0 0 57122 1 0 0 0 0 M END > 70693711 > 1 > 1570 > 14 > 7 > 8 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAiDSCAIAAAAgAAAACAFAAAgREBYAAQQiQAAFoAAPAAPK7PzPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-methoxycarbonyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid > (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-methoxycarbonyl-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid > (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-methoxycarbonyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid > (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-methoxycarbonyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid > (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6S)-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methoxycarbonyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid > (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6S)-6-carbomethoxy-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid > InChI=1S/C43H68O14/c1-20-11-16-43(38(51)52)18-17-41(6)22(27(43)21(20)2)9-10-25-40(5)14-13-26(39(3,4)24(40)12-15-42(25,41)7)55-37-32(49)33(31(48)34(57-37)35(50)53-8)56-36-30(47)29(46)28(45)23(19-44)54-36/h9,20-21,23-34,36-37,44-49H,10-19H2,1-8H3,(H,51,52)/t20-,21+,23-,24+,25-,26+,27+,28+,29+,30-,31+,32-,33+,34+,36+,37-,40+,41-,42-,43+/m1/s1 > AZBAMFMUEZYIJY-CLPSDCFVSA-N > 4.7 > 808.46090684 > C43H68O14 > 809.0 > CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)OC)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C2C1C)C)C(=O)O > C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O > 222 > 808.46090684 > 0 > 57 > 20 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 30 1 6 45 1 6 52 11 6 53 12 5 55 13 5 15 29 6 16 58 5 17 33 6 18 35 5 19 59 5 24 64 6 28 42 6 36 43 6 38 44 5 48 50 6 46 5 5 54 57 5 47 6 6 51 6 5 49 7 5 $$$$