71264309 -OEChem-05102423482D 124130 0 1 0 0 0 0 0999 V2000 6.8671 -1.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6424 7.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3112 -1.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.3322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.3322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -7.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -7.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7681 2.8680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9040 2.3646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8920 1.3231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7643 3.8680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7920 0.7988 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6801 2.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8963 4.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8046 -0.2861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6921 1.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8762 5.4061 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7722 5.9373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0361 2.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6723 4.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9421 0.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6763 5.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7522 3.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0322 3.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 1.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9295 -0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7497 3.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9223 5.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7764 7.0222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9014 7.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8347 7.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8046 -0.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3113 -1.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6324 6.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 7.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 6.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -3.3322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -3.8322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.3322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -3.3322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -4.8322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -1.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.3322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -6.3322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -6.3322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -6.8322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -6.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4398 2.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3314 0.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2921 2.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8824 2.9507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9079 0.7418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3017 1.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3466 5.0837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4251 2.9666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 2.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8791 3.7938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2836 4.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7398 1.3848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 0.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2868 5.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8876 6.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8623 2.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3624 3.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6422 3.6556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4046 -1.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4941 4.1692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 2.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 2.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 1.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3199 -0.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7137 -0.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6444 3.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3607 3.5928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8550 4.3091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 6.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 5.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3128 6.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2302 8.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4319 8.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3855 -0.0619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6922 0.3313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7767 -1.4624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6254 -1.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -0.8342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9486 5.9139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1657 6.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3162 6.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9202 8.1842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0699 8.3981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 7.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 7.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2816 6.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9111 6.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6424 8.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9312 -1.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -4.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -5.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -7.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -5.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -6.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 -6.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -7.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -8.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -8.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31 1 1 1 0 0 0 1 45 1 0 0 0 0 37 2 1 1 0 0 0 2104 1 0 0 0 0 3 40 1 0 0 0 0 3106 1 0 0 0 0 4 45 1 0 0 0 0 4 48 1 0 0 0 0 46 5 1 6 0 0 0 5 50 1 0 0 0 0 47 6 1 1 0 0 0 6112 1 0 0 0 0 49 7 1 6 0 0 0 7113 1 0 0 0 0 8 50 1 0 0 0 0 8 54 1 0 0 0 0 9 51 1 0 0 0 0 9117 1 0 0 0 0 10 51 2 0 0 0 0 52 11 1 6 0 0 0 11119 1 0 0 0 0 53 12 1 1 0 0 0 12122 1 0 0 0 0 55 13 1 1 0 0 0 13123 1 0 0 0 0 14 56 1 0 0 0 0 14124 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 30 1 1 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 16 57 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 17 33 1 1 0 0 0 18 21 1 0 0 0 0 18 27 1 0 0 0 0 18 35 1 6 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 58 1 0 0 0 0 20 23 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 24 1 0 0 0 0 21 32 2 0 0 0 0 22 31 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 6 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 24 63 1 0 0 0 0 25 29 1 0 0 0 0 25 37 1 0 0 0 0 25 42 1 1 0 0 0 26 32 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 29 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 34 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 30 74 1 0 0 0 0 31 34 1 0 0 0 0 31 75 1 0 0 0 0 32 76 1 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 36 38 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 37 39 1 0 0 0 0 37 87 1 0 0 0 0 38 39 1 0 0 0 0 38 43 1 0 0 0 0 38 44 1 0 0 0 0 39 88 1 0 0 0 0 39 89 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 41 92 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 42 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 45105 1 0 0 0 0 46 47 1 0 0 0 0 46107 1 0 0 0 0 47 49 1 0 0 0 0 47108 1 0 0 0 0 48 49 1 0 0 0 0 48 51 1 1 0 0 0 48109 1 0 0 0 0 49110 1 0 0 0 0 50 52 1 0 0 0 0 50111 1 0 0 0 0 52 53 1 0 0 0 0 52114 1 0 0 0 0 53 55 1 0 0 0 0 53115 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 1 0 0 0 54116 1 0 0 0 0 55118 1 0 0 0 0 56120 1 0 0 0 0 56121 1 0 0 0 0 M END > 71264309 > 1 > 1520 > 14 > 9 > 7 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAiDSCAIAAAAgAAAACAFAAAgREBYAAQQiQAAFoAAPAAPK7PxPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > (2S,3S,4S,5R)-6-[[(3S,4S,6aR,6bS,8aR,9R,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid > (2S,3S,4S,5R)-6-[[(3S,4S,6aR,6bS,8aR,9R,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanecarboxylic acid > (2S,3S,4S,5R)-6-[[(3S,4S,6aR,6bS,8aR,9R,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid > (2S,3S,4S,5R)-6-[[(3S,4S,6aR,6bS,8aR,9R,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid > (2S,3S,4S,5R)-6-[[(3S,4S,6aR,6bS,8aR,9R,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxane-2-carboxylic acid > (2S,3S,4S,5R)-6-[[(3S,4S,6aR,6bS,8aR,9R,14bR)-9-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-4-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid > InChI=1S/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)/t21?,22-,23?,24?,25-,26+,27+,28+,29+,30+,31-,32+,33-,35?,36?,38-,39+,40-,41-,42-/m1/s1 > OKIHRVKXRCAJFQ-BJPLEZKLSA-N > 3.5 > 796.46090684 > C42H68O14 > 797.0 > CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C > C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)CO)OC6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)OC7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)C)C)C1CC(C[C@H]2O)(C)C)C > 236 > 796.46090684 > 0 > 56 > 15 > 5 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 31 1 5 45 1 3 52 11 6 53 12 5 55 13 5 15 30 5 16 26 3 17 33 5 18 35 6 19 23 3 37 2 5 22 41 6 24 36 3 25 42 5 48 51 5 46 5 6 50 5 3 54 56 5 47 6 5 49 7 6 $$$$