6434889 -OEChem-05072409402D 134140 0 1 0 0 0 0 0999 V2000 13.6723 5.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7656 -1.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5590 -2.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1572 1.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9598 3.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9270 5.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0395 1.5201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9683 3.9488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3940 4.8472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3510 3.0249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6895 -1.4210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0267 0.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3794 4.7761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8200 -0.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9769 4.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1028 -0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9723 -1.1949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3523 -3.0212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3387 3.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7983 5.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8391 3.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2762 -2.6385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7422 2.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2218 -4.0126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6134 -1.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0484 -1.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4067 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3681 3.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8388 3.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0152 -4.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0696 -3.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2979 -4.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2550 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.6314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 1.6314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 0.6314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2006 1.6228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1245 0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.6314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 0.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.1314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3767 3.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9940 2.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8846 -5.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.6314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 1.6314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2768 2.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9905 0.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7368 5.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6763 2.2396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8120 0.5045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1044 5.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4113 -0.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1063 0.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9686 0.4018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4834 -0.2305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8613 -2.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0267 -3.5386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6534 2.5153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5618 5.6304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2034 4.8824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8490 -2.4012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7299 -3.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6943 -0.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5913 -1.9965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3815 -2.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9795 -1.4098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8256 4.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6781 2.7490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8242 3.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4586 3.8633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8534 4.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6065 -4.8078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3014 -4.0714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6921 -3.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5614 -3.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4470 -2.7554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5460 5.5782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0607 -3.8225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7251 -4.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5352 -4.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 0.9056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7181 -1.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1197 2.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.0114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -0.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -0.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9992 3.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4859 1.8542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2699 -5.5319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8037 -6.2275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4993 -5.6938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 0.0488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.1786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5140 2.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7040 2.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0395 1.4327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3005 -0.0143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5275 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6805 1.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 3.1314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.7514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1131 3.1314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 2.6683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 1.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -0.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -0.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -1.9056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.6786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 -0.8317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 27 1 0 0 0 0 2 18 1 0 0 0 0 2 24 1 0 0 0 0 18 3 1 1 0 0 0 3 25 1 0 0 0 0 4 19 1 0 0 0 0 4 30 1 0 0 0 0 15 5 1 1 0 0 0 5 82 1 0 0 0 0 20 6 1 6 0 0 0 6 92 1 0 0 0 0 7 30 2 0 0 0 0 41 8 1 1 0 0 0 46 8 1 1 0 0 0 9 46 1 0 0 0 0 9 48 1 0 0 0 0 42 10 1 1 0 0 0 52 10 1 1 0 0 0 11 52 1 0 0 0 0 11 56 1 0 0 0 0 43 12 1 6 0 0 0 12 61 1 0 0 0 0 54 13 1 6 0 0 0 13 62 1 0 0 0 0 55 14 1 1 0 0 0 14131 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 16 20 1 0 0 0 0 16 63 1 1 0 0 0 17 26 1 0 0 0 0 17 30 1 0 0 0 0 17 64 1 6 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 65 1 1 0 0 0 20 28 1 0 0 0 0 20 66 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 22 27 1 0 0 0 0 22 35 2 0 0 0 0 23 24 1 0 0 0 0 23 69 1 0 0 0 0 23 70 1 0 0 0 0 24 33 1 0 0 0 0 24 71 1 1 0 0 0 25 29 1 0 0 0 0 25 31 1 0 0 0 0 25 72 1 6 0 0 0 26 28 2 0 0 0 0 26 73 1 0 0 0 0 27 74 1 0 0 0 0 27 75 1 0 0 0 0 28 36 1 0 0 0 0 29 34 1 0 0 0 0 29 38 1 6 0 0 0 29 76 1 0 0 0 0 31 37 1 0 0 0 0 31 39 1 6 0 0 0 31 77 1 0 0 0 0 32 34 2 0 0 0 0 32 78 1 0 0 0 0 33 40 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 35 49 1 0 0 0 0 35 83 1 0 0 0 0 36 84 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 37 51 1 0 0 0 0 37 87 1 0 0 0 0 37 88 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 93 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 40 45 2 0 0 0 0 40 97 1 0 0 0 0 41 44 1 0 0 0 0 41 45 1 0 0 0 0 41 96 1 0 0 0 0 42 43 1 0 0 0 0 42 48 1 0 0 0 0 42 98 1 0 0 0 0 43 47 1 0 0 0 0 43 99 1 0 0 0 0 44 50 1 0 0 0 0 44 57 1 1 0 0 0 44100 1 0 0 0 0 45 58 1 0 0 0 0 46 47 1 0 0 0 0 46101 1 0 0 0 0 47102 1 0 0 0 0 47103 1 0 0 0 0 48 59 1 6 0 0 0 48104 1 0 0 0 0 49 50 2 0 0 0 0 49105 1 0 0 0 0 50106 1 0 0 0 0 51107 1 0 0 0 0 51108 1 0 0 0 0 51109 1 0 0 0 0 52 53 1 0 0 0 0 52110 1 0 0 0 0 53 54 1 0 0 0 0 53111 1 0 0 0 0 53112 1 0 0 0 0 54 55 1 0 0 0 0 54113 1 0 0 0 0 55 56 1 0 0 0 0 55114 1 0 0 0 0 56 60 1 6 0 0 0 56115 1 0 0 0 0 57116 1 0 0 0 0 57117 1 0 0 0 0 57118 1 0 0 0 0 58119 1 0 0 0 0 58120 1 0 0 0 0 58121 1 0 0 0 0 59122 1 0 0 0 0 59123 1 0 0 0 0 59124 1 0 0 0 0 60125 1 0 0 0 0 60126 1 0 0 0 0 60127 1 0 0 0 0 61128 1 0 0 0 0 61129 1 0 0 0 0 61130 1 0 0 0 0 62132 1 0 0 0 0 62133 1 0 0 0 0 62134 1 0 0 0 0 M END > 6434889 > 1 > 1730 > 14 > 3 > 8 > AAADcfB8PAAAAAAAAAAAAAAAAAAAASAAAAAkSJECAAAAAEAAAAAAGgAACAAADVSwgAMCCAAABgCIAiDSCAAAAAAgAAAICAEAAAgZFBYAIQAiUAAF4AAPsAPK7OzOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-3,11',13',22'-tetramethyl-2-[(1S)-1-methylpropyl]spiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one > (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[[(2R,4S,5S,6S)-5-[[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-3,11',13',22'-tetramethyl-2'-spiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]one > (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one > (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one > (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-3,11',13',22'-tetramethyl-21',24'-bis(oxidanyl)spiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one > (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-3,11',13',22'-tetramethyl-2-[(1S)-1-methylpropyl]spiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one > InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1 > RRZXIRBKKLTSOM-XPNPUAGNSA-N > 3.8 > 872.49220697 > C48H72O14 > 873.1 > CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C > CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C > 170 > 872.49220697 > 0 > 62 > 20 > 0 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 42 10 5 52 10 5 43 12 6 54 13 6 55 14 5 16 63 5 17 64 6 19 65 5 24 71 5 25 72 6 29 38 6 18 3 5 31 39 6 44 57 5 48 59 6 15 5 5 56 60 6 20 6 6 41 8 5 46 8 5 $$$$