6325617 -OEChem-05092401222D 82 87 0 1 0 0 0 0 0999 V2000 7.7662 1.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7901 -1.4084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2983 2.6541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3961 -0.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1621 5.1811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7972 6.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8982 2.1641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9021 1.1641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0303 2.6608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0380 0.6608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0260 -0.3808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1662 2.1574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9260 -0.9051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2358 3.6334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1701 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6327 2.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8140 0.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8261 -0.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 3.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 -0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 3.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9386 -1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0635 -1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0418 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5650 4.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 4.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7709 5.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.0361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9038 5.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.0361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -5.5361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -4.0361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -5.0361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 -3.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6333 1.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3002 0.2386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1638 2.7774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4565 4.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5591 1.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9602 0.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 2.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1680 3.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4261 0.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0163 1.2468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0419 -0.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4357 -0.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8129 3.9343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0930 4.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8738 -0.3190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -1.0041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4703 3.6955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6242 3.4653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8544 2.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1544 -2.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5482 -1.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4539 -1.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8477 -2.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5386 -2.8451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3019 1.9795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 0.3801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3282 -1.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 2.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9815 4.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7009 3.6623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 5.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.6561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.6561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -2.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -4.0731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 65 1 0 0 0 0 18 2 1 1 0 0 0 2 67 1 0 0 0 0 17 3 1 1 0 0 0 3 68 1 0 0 0 0 29 4 1 1 0 0 0 34 4 1 1 0 0 0 5 30 2 0 0 0 0 6 32 1 0 0 0 0 6 35 1 0 0 0 0 7 34 1 0 0 0 0 7 38 1 0 0 0 0 8 35 2 0 0 0 0 36 9 1 6 0 0 0 9 77 1 0 0 0 0 37 10 1 6 0 0 0 10 81 1 0 0 0 0 39 11 1 1 0 0 0 11 82 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 13 41 1 1 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 26 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 42 1 6 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 16 30 1 1 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 18 23 1 0 0 0 0 18 27 1 0 0 0 0 19 24 1 0 0 0 0 19 31 1 1 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 24 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 29 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 30 66 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 35 1 0 0 0 0 33 71 1 0 0 0 0 34 36 1 0 0 0 0 34 72 1 0 0 0 0 36 37 1 0 0 0 0 36 73 1 0 0 0 0 37 39 1 0 0 0 0 37 74 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 6 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 40 78 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 M END > 6325617 > 1 > 1080 > 11 > 6 > 4 > AAADcfB4PAAAAAAAAAAAAAAAAAAAAYIAAAA0YMEAAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAijSiAAAAAAgAAAACAEAAEgRFBYAIQAiUAAFoAAPIQPI7PzPgAAAAAAAAADAAAYQADAAAYAADAAAAA== > (3S,5S,8R,9S,10S,12R,13S,14S,17R)-5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde > (3S,5S,8R,9S,10S,12R,13S,14S,17R)-5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde > (3S,5S,8R,9S,10S,12R,13S,14S,17R)-5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde > (3S,5S,8R,9S,10S,12R,13S,14S,17R)-5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde > (3S,5S,8R,9S,10S,12R,13S,14S,17R)-13-methyl-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,12,14-tris(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde > (3S,5S,8R,9S,10S,12R,13S,14S,17R)-5,12,14-trihydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde > InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17+,18+,19-,20+,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1 > MFIXZHBJWSBQJA-KRRSKSLRSA-N > -1.8 > 566.27271215 > C29H42O11 > 566.6 > CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)C=O)O)O)O > C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4C[C@H]([C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)O)C=O)O)O)O > 183 > 566.27271215 > 0 > 40 > 14 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 1 5 37 10 6 39 11 5 13 41 5 14 26 5 15 42 6 16 30 5 19 31 5 18 2 5 17 3 5 38 40 6 29 4 5 34 4 5 36 9 6 $$$$