70692466 -OEChem-04182421322D 121127 0 1 0 0 0 0 0999 V2000 7.8620 4.2294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 3.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7453 5.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5824 3.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3259 4.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -7.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3490 6.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -8.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -7.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7685 7.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5004 7.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9067 -0.4601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7765 0.0332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8006 1.0746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8990 -1.4600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9067 1.6092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0006 0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7611 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0006 1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7691 -3.0083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9067 2.6942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6387 -0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9851 -1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7565 1.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.5291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9206 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9690 -3.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6310 -1.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8505 3.2295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6588 0.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7816 2.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9155 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7170 -3.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8503 -4.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7254 -4.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7858 -5.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9067 2.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4100 3.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7254 -4.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2287 -5.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7338 4.7194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5940 4.2094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -5.5291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4657 4.6993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6171 6.2092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -6.5291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4773 5.6993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -7.0291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -5.5291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -6.5291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6286 7.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5191 0.4468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1722 2.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3898 0.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7916 -0.5299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7916 1.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3898 0.9893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5003 -2.5748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2484 -0.5858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8552 0.1075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7850 -1.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3727 -2.0565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9520 0.9995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3697 1.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8176 -0.0147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3092 -0.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0235 -1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3599 -2.8859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 -3.5818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1655 -1.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3165 3.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1909 0.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9771 1.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3899 2.5524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0041 3.2513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 -0.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3058 -1.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8032 -1.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3287 -3.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9216 -2.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2412 -4.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6323 -5.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3848 -5.6366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1831 -5.6397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9091 3.3181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2867 2.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9043 2.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7221 4.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7278 -5.2374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3454 -4.6150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7230 -3.9974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6930 -5.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5408 -6.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7645 -5.1732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7266 4.0994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1273 3.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0062 5.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0838 6.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -7.1491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4844 6.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1157 2.8933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -7.1491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3187 3.5694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -6.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8823 5.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -4.9215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -5.6117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -8.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7756 8.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33 1 1 1 0 0 0 46 1 1 6 0 0 0 2 43 1 0 0 0 0 48 2 1 1 0 0 0 3 42 2 0 0 0 0 4 43 2 0 0 0 0 5 46 1 0 0 0 0 5 50 1 0 0 0 0 6 48 1 0 0 0 0 6 54 1 0 0 0 0 47 7 1 1 0 0 0 7110 1 0 0 0 0 49 8 1 6 0 0 0 8113 1 0 0 0 0 51 9 1 6 0 0 0 9114 1 0 0 0 0 52 10 1 1 0 0 0 10115 1 0 0 0 0 53 11 1 1 0 0 0 11118 1 0 0 0 0 55 12 1 6 0 0 0 12119 1 0 0 0 0 13 56 1 0 0 0 0 13120 1 0 0 0 0 14 56 2 0 0 0 0 15 57 1 0 0 0 0 15121 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 16 30 1 1 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 17 58 1 6 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 18 34 1 1 0 0 0 19 22 1 0 0 0 0 19 27 1 0 0 0 0 19 36 1 6 0 0 0 20 23 1 0 0 0 0 20 25 1 0 0 0 0 20 59 1 6 0 0 0 21 23 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 24 1 0 0 0 0 22 32 2 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 29 1 0 0 0 0 24 37 1 0 0 0 0 24 64 1 1 0 0 0 25 33 1 0 0 0 0 25 41 1 1 0 0 0 25 42 1 0 0 0 0 26 32 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 31 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 35 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 31 1 0 0 0 0 29 38 1 0 0 0 0 29 43 1 1 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 32 76 1 0 0 0 0 33 35 1 0 0 0 0 33 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 36 83 1 0 0 0 0 36 84 1 0 0 0 0 36 85 1 0 0 0 0 37 39 1 0 0 0 0 37 86 1 0 0 0 0 37 87 1 0 0 0 0 38 40 1 0 0 0 0 38 88 1 0 0 0 0 38 89 1 0 0 0 0 39 40 1 0 0 0 0 39 44 1 0 0 0 0 39 45 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 44 96 1 0 0 0 0 44 97 1 0 0 0 0 44 98 1 0 0 0 0 45 99 1 0 0 0 0 45100 1 0 0 0 0 45101 1 0 0 0 0 46 47 1 0 0 0 0 46102 1 0 0 0 0 47 49 1 0 0 0 0 47103 1 0 0 0 0 48 51 1 0 0 0 0 48104 1 0 0 0 0 49 52 1 0 0 0 0 49105 1 0 0 0 0 50 52 1 0 0 0 0 50 56 1 6 0 0 0 50106 1 0 0 0 0 51 53 1 0 0 0 0 51107 1 0 0 0 0 52108 1 0 0 0 0 53 55 1 0 0 0 0 53109 1 0 0 0 0 54 55 1 0 0 0 0 54 57 1 1 0 0 0 54111 1 0 0 0 0 55112 1 0 0 0 0 57116 1 0 0 0 0 57117 1 0 0 0 0 M END > 70692466 > 1 > 1620 > 15 > 8 > 8 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAijSiAIAAAAgAAAACAFAAAgREBYAAQQiQAAFoAAPAAPK7PzPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-formyl-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid > (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-formyl-4,6a,6b,11,11,14b-hexamethyl-8a-[oxo-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]methyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid > (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-formyl-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-formyl-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonyl-4-methanoyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid > (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-formyl-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid > InChI=1S/C42H64O15/c1-37(2)13-15-42(36(53)57-34-30(49)27(46)26(45)22(18-43)54-34)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-31(50)28(47)29(48)32(56-35)33(51)52/h7,19,21-32,34-35,43,45-50H,8-18H2,1-6H3,(H,51,52)/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,38-,39-,40+,41+,42-/m0/s1 > KFNNEUAROQLUQS-ZJDNFKTFSA-N > 3 > 808.42452133 > C42H64O15 > 808.9 > CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C > C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O > 250 > 808.42452133 > 0 > 57 > 19 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 33 1 5 46 1 6 52 10 5 53 11 5 55 12 6 16 30 5 17 58 6 18 34 5 19 36 6 48 2 5 20 59 6 24 64 5 25 41 5 29 43 5 50 56 6 54 57 5 47 7 5 49 8 6 51 9 6 $$$$