102140199 -OEChem-09272320542D 125131 0 1 0 0 0 0 0999 V2000 10.3312 -3.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0850 6.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9683 4.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -6.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.0991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2322 1.6011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3681 1.0978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3561 0.0562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2284 2.6011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2562 -0.4681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1442 1.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2687 -1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1562 0.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3604 3.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5002 1.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4062 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3404 4.1392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1364 3.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2363 4.6704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2164 1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.0991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1404 4.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4920 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3936 -1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4963 2.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2138 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3864 4.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2405 5.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3655 5.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2687 -1.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7754 -2.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2988 6.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0965 5.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8522 6.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3656 5.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.5991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 -4.5991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -5.0991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -3.5991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -4.5991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -3.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -6.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -6.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -3.5991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -3.0991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1026 0.6699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9955 -0.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7562 0.9987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3465 1.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3720 -0.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7658 0.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8892 1.6997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2904 1.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2039 0.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7941 -0.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6142 3.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3432 2.5269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7477 3.2152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3264 1.1684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8265 1.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1063 2.3887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8687 -2.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7509 4.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3517 4.7359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8041 1.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9563 0.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1799 0.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7840 -1.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1778 -2.1343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9582 2.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1085 1.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8248 2.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3191 3.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7736 4.7504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1887 4.0685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8510 5.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4518 6.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2734 -2.1653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8887 -1.5405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2639 -0.9253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2408 -2.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0895 -2.9497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3099 -2.1010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6943 6.7717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8960 6.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3843 6.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5340 7.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3201 6.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3561 6.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7457 5.7159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3752 5.1056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -3.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6183 6.4965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.2191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -5.4091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.9791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.2191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -4.7891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -2.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -2.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.4091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 -7.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -6.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5072 -6.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.1242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.1242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.9791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29 1 1 1 0 0 0 44 1 1 1 0 0 0 2 41 1 0 0 0 0 2104 1 0 0 0 0 3 41 2 0 0 0 0 4 44 1 0 0 0 0 4 47 1 0 0 0 0 46 5 1 1 0 0 0 5112 1 0 0 0 0 48 6 1 6 0 0 0 6113 1 0 0 0 0 7 49 1 0 0 0 0 52 7 1 1 0 0 0 8 50 2 0 0 0 0 9 52 1 0 0 0 0 9 55 1 0 0 0 0 53 10 1 1 0 0 0 10123 1 0 0 0 0 54 11 1 6 0 0 0 11124 1 0 0 0 0 56 12 1 6 0 0 0 12125 1 0 0 0 0 45 13 1 6 0 0 0 13 50 1 0 0 0 0 13109 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 28 1 1 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 15 57 1 6 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 16 31 1 1 0 0 0 17 22 1 0 0 0 0 17 26 1 0 0 0 0 17 34 1 6 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 58 1 6 0 0 0 19 21 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 29 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 25 1 0 0 0 0 22 33 2 0 0 0 0 23 33 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 32 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 27 1 0 0 0 0 25 35 1 0 0 0 0 25 67 1 1 0 0 0 26 30 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 30 1 0 0 0 0 27 36 1 0 0 0 0 27 41 1 1 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 32 1 0 0 0 0 29 73 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 76 1 0 0 0 0 31 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 81 1 0 0 0 0 34 82 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 35 37 1 0 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 36 40 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 37 40 1 0 0 0 0 37 42 1 0 0 0 0 37 43 1 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 39 94 1 0 0 0 0 40 95 1 0 0 0 0 40 96 1 0 0 0 0 42 97 1 0 0 0 0 42 98 1 0 0 0 0 42 99 1 0 0 0 0 43100 1 0 0 0 0 43101 1 0 0 0 0 43102 1 0 0 0 0 44 45 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 48 1 0 0 0 0 46106 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 1 0 0 0 47107 1 0 0 0 0 48108 1 0 0 0 0 49110 1 0 0 0 0 49111 1 0 0 0 0 50 51 1 0 0 0 0 51114 1 0 0 0 0 51115 1 0 0 0 0 51116 1 0 0 0 0 52 53 1 0 0 0 0 52117 1 0 0 0 0 53 54 1 0 0 0 0 53118 1 0 0 0 0 54 56 1 0 0 0 0 54119 1 0 0 0 0 55 56 1 0 0 0 0 55120 1 0 0 0 0 55121 1 0 0 0 0 56122 1 0 0 0 0 M END > 102140199 > 1 > 1550 > 12 > 7 > 7 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAHgAQCAAADzzxgAcCCALABgCIAiHSGAAAAAAgAAAACIEIAAgTEBIAgQAnQAAHlgCfAAP4+P+PgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-[[(2S,3S,4R,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid > (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-[[(2S,3S,4R,5R)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid > (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-[[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid > (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-[[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid > (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(oxidanyl)-6-[[(2S,3S,4R,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid > (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-[[(2S,3S,4R,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid > InChI=1S/C43H69NO12/c1-22(45)44-30-33(49)32(48)26(21-54-36-34(50)31(47)25(46)20-53-36)55-35(30)56-29-12-13-40(6)27(39(29,4)5)11-14-42(8)28(40)10-9-23-24-19-38(2,3)15-17-43(24,37(51)52)18-16-41(23,42)7/h9,24-36,46-50H,10-21H2,1-8H3,(H,44,45)(H,51,52)/t24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,40-,41+,42+,43-/m0/s1 > MBMJMOODCJFAET-FTLPUPRYSA-N > 3.8 > 791.48197664 > C43H69NO12 > 792.0 > CC(=O)NC1C(C(C(OC1OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CCC6(C5CC(CC6)(C)C)C(=O)O)C)C)C)COC7C(C(C(CO7)O)O)O)O)O > CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]4([C@@H]3CC=C5[C@]4(CC[C@@]6([C@H]5CC(CC6)(C)C)C(=O)O)C)C)C)CO[C@H]7[C@H]([C@@H]([C@@H](CO7)O)O)O)O)O > 205 > 791.48197664 > 0 > 56 > 17 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 29 1 5 44 1 5 53 10 5 54 11 6 56 12 6 45 13 6 14 28 5 15 57 6 16 31 5 17 34 6 18 58 6 25 67 5 27 41 5 47 49 5 46 5 5 48 6 6 52 7 5 $$$$