21599928 -OEChem-09272320532D 104108 0 1 0 0 0 0 0999 V2000 8.5881 -2.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6885 3.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2330 -1.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8560 -2.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5881 -4.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8560 -5.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1240 -4.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -3.0266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 0.0392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5641 0.5425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8321 0.5359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4761 0.0392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8282 1.5358 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4881 -1.0024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6880 -1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5603 1.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5881 -1.5266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6923 2.0392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8871 0.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4257 -1.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8808 1.8369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4007 0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3004 1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0602 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4937 -0.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4645 1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3632 -1.0024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3506 0.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9257 -2.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9257 -2.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5665 2.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7220 -3.0266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2315 3.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5872 2.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7220 -4.0266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2729 3.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8560 -4.5266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9900 -3.0266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9900 -4.0266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2936 4.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1240 -2.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9793 5.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6443 5.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2953 0.9760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7350 2.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4881 -1.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0784 -0.8892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4722 -1.5836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1713 1.4372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7701 2.1260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1256 -1.8356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 2.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3509 -0.0838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1403 -0.3384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3166 2.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7888 1.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9907 1.0719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8379 1.4429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8411 0.6135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5837 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6635 -1.2058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5366 -1.1260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9103 -0.1953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2839 -0.9886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0771 -0.6149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0845 1.0463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4574 1.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8446 1.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3668 -1.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9627 -0.0165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5529 0.6686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3887 -2.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2357 -2.9514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4626 -2.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3887 -2.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6157 -2.9514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4626 -2.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2242 3.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7220 -2.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7676 -1.1815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6946 3.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6438 3.9962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7684 3.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 2.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7220 -4.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8864 4.0277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2911 4.5578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3191 -4.8366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9900 -2.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9900 -4.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5881 -5.1466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8813 3.6774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5225 -2.0517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7254 -2.0517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3191 -5.8366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1240 -5.1466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 -2.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1255 5.8994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3928 5.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8745 4.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1073 5.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0565 6.2997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1812 6.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 1 0 0 0 32 1 1 1 0 0 0 18 2 1 6 0 0 0 2 79 1 0 0 0 0 27 3 1 6 0 0 0 3 81 1 0 0 0 0 4 32 1 0 0 0 0 4 38 1 0 0 0 0 35 5 1 6 0 0 0 5 92 1 0 0 0 0 37 6 1 1 0 0 0 6 96 1 0 0 0 0 39 7 1 6 0 0 0 7 97 1 0 0 0 0 8 41 1 0 0 0 0 8 98 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 24 1 6 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 45 1 1 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 11 25 1 1 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 12 26 1 6 0 0 0 13 18 1 0 0 0 0 13 21 1 0 0 0 0 13 46 1 6 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 14 47 1 1 0 0 0 15 17 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 18 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 19 23 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 27 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 6 0 0 0 21 56 1 0 0 0 0 22 28 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 28 1 0 0 0 0 27 70 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 33 1 0 0 0 0 31 34 2 0 0 0 0 32 35 1 0 0 0 0 32 80 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 36 1 0 0 0 0 34 85 1 0 0 0 0 35 37 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 39 1 0 0 0 0 37 89 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 1 0 0 0 38 90 1 0 0 0 0 39 91 1 0 0 0 0 40 42 2 0 0 0 0 40 93 1 0 0 0 0 41 94 1 0 0 0 0 41 95 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 43 99 1 0 0 0 0 43100 1 0 0 0 0 43101 1 0 0 0 0 44102 1 0 0 0 0 44103 1 0 0 0 0 44104 1 0 0 0 0 M END > 21599928 > 1 > 1120 > 8 > 6 > 6 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAYAAAAA0YMEAAAAAAGDAAAAAGgAACAAADxSwgAMCCAAABgCAAiBCAAAAAAAgAAAACAAAAAgREAIAAQAiQAAFgAAPAAPA4PwPgAAAAAAAAADAAAYAADAAAQAACAAAAA== > (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(1E)-1,5-dimethylhexa-1,4-dienyl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol > (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-3,12-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]oxane-3,4,5-triol > (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(1E)-1,5-dimethylhexa-1,4-dienyl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol > InChI=1S/C36H60O8/c1-19(2)10-9-11-20(3)21-12-15-35(7)27(21)22(38)16-25-34(6)14-13-26(39)33(4,5)31(34)23(17-36(25,35)8)43-32-30(42)29(41)28(40)24(18-37)44-32/h10-11,21-32,37-42H,9,12-18H2,1-8H3/b20-11+/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,34-,35-,36-/m1/s1 > OZTXYFOXQFKYRP-TXRYYSRHSA-N > 5.6 > 620.42881887 > C36H60O8 > 620.9 > CC(=CCC=C(C)C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)C > CC(=CC/C=C(\C)/[C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)C > 140 > 620.42881887 > 0 > 44 > 15 > 0 > 1 > 0 > 0 > 1 > 1 > 1 5 255 > 17 1 5 32 1 5 10 45 5 11 25 5 12 26 6 13 46 6 14 47 5 18 2 6 21 31 6 27 3 6 38 41 5 35 5 6 37 6 5 39 7 6 9 24 6 $$$$