5284613 -OEChem-05122400282D 80 85 0 1 0 0 0 0 0999 V2000 7.7662 1.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2013 6.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5529 6.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8982 2.2870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0303 2.7837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9021 1.2870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0380 0.7837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0260 -0.2579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2358 3.7563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1662 2.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6327 2.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8140 0.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 3.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9260 -0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 3.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8261 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 -0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1619 0.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5650 4.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0635 -1.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9386 -1.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.4132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5873 4.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 5.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9166 5.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.9132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2236 5.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.9132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -5.4132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -3.9132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -4.9132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 -3.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6333 1.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7725 0.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4565 4.3357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 2.1703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5591 1.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9602 0.6969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 2.4575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1680 3.2698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4261 0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0163 1.3698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8129 4.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0930 4.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4703 3.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6242 3.5883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8544 2.7422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0419 -0.8391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4357 -0.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8738 -0.1961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -0.8812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3019 2.1024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4739 0.7812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 0.5575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 -0.2903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4539 -1.7539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8477 -2.4483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4779 -2.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5386 -2.7222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 3.6980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4782 5.5799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3105 4.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.5332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.7232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.5332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.0332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -2.8763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -3.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.7232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 1 0 0 0 1 59 1 0 0 0 0 28 2 1 1 0 0 0 32 2 1 1 0 0 0 3 30 1 0 0 0 0 3 33 1 0 0 0 0 4 32 1 0 0 0 0 4 36 1 0 0 0 0 5 33 2 0 0 0 0 34 6 1 6 0 0 0 6 75 1 0 0 0 0 35 7 1 6 0 0 0 7 79 1 0 0 0 0 37 8 1 1 0 0 0 8 80 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 1 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 39 1 1 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 40 1 6 0 0 0 13 20 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 1 0 0 0 14 19 1 0 0 0 0 14 25 1 1 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 22 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 1 0 0 0 0 20 27 2 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 26 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 29 1 0 0 0 0 25 30 2 0 0 0 0 26 28 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 29 31 2 0 0 0 0 29 67 1 0 0 0 0 30 68 1 0 0 0 0 31 33 1 0 0 0 0 31 69 1 0 0 0 0 32 34 1 0 0 0 0 32 70 1 0 0 0 0 34 35 1 0 0 0 0 34 71 1 0 0 0 0 35 37 1 0 0 0 0 35 72 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 6 0 0 0 36 73 1 0 0 0 0 37 74 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 M END > 5284613 > 1 > 1070 > 8 > 4 > 3 > AAADcfB4PAAAAAAAAAAAAAAAAAAAAYAAAAA0YIECAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSCAAACAAgIAAICAAAAEgZFAIAIQAiUAAFgAAPoYPA4PwPgAAAAAAAAACAAAYAADAAAYAADAAAAA== > 5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one > 5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-pyranone > 5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one > 5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one > 5-[(3S,8R,9S,10R,13R,14S,17R)-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-14-oxidanyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one > 5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one > InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1 > MYEJFUXQJGHEQK-ALRJYLEOSA-N > 1.9 > 530.28796829 > C30H42O8 > 530.6 > CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O > C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O > 126 > 530.28796829 > 0 > 38 > 12 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 9 1 5 10 21 5 11 39 5 12 40 6 13 24 5 14 25 5 28 2 5 32 2 5 25 29 8 25 30 8 29 31 8 3 30 8 3 33 8 31 33 8 36 38 6 34 6 6 35 7 6 37 8 5 $$$$