441853 -OEChem-05042418372D 83 88 0 1 0 0 0 0 0999 V2000 11.3900 1.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7382 3.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4236 0.3775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5826 -2.5922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3199 -3.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3862 0.9789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5221 1.4822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3823 -0.0211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6541 0.9856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7461 1.4959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7421 2.5376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3274 -0.3295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5144 -0.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6503 -0.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3336 1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5422 2.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6462 3.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9141 0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8171 0.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8088 3.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3785 -1.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8712 1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.5520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4077 0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6344 -1.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5847 -1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0448 -2.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6309 -2.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 2.5520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 1.5520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 3.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2631 1.8987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9197 0.5577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9395 -0.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1140 -0.9912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9111 -0.9942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0401 0.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4360 -0.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8721 1.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0847 1.8478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1509 2.4058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7624 3.1032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0489 3.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2507 3.5324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3733 0.0565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3765 0.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4253 0.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2235 0.4672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2116 3.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4133 3.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7585 -1.0187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3761 -1.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9985 -1.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2600 1.5708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6644 0.8825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8683 3.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9282 2.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8080 0.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2740 3.8496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2012 -1.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7149 -0.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4248 -2.0876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 0.9694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.7420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 3.5889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 2.5151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 0.0889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -0.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 1 65 1 0 0 0 0 15 2 1 6 0 0 0 2 67 1 0 0 0 0 27 3 1 6 0 0 0 32 3 1 1 0 0 0 4 28 2 0 0 0 0 5 30 1 0 0 0 0 5 33 1 0 0 0 0 6 32 1 0 0 0 0 6 36 1 0 0 0 0 7 33 2 0 0 0 0 35 8 1 6 0 0 0 8 39 1 0 0 0 0 37 9 1 6 0 0 0 9 80 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 11 40 1 6 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 25 1 6 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 41 1 1 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 14 28 1 6 0 0 0 15 21 1 0 0 0 0 15 24 1 0 0 0 0 16 22 1 0 0 0 0 16 29 1 6 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 22 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 26 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 27 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 28 66 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 33 1 0 0 0 0 31 70 1 0 0 0 0 32 34 1 0 0 0 0 32 71 1 0 0 0 0 34 35 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 37 1 0 0 0 0 35 74 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 1 0 0 0 36 75 1 0 0 0 0 37 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 39 83 1 0 0 0 0 M END > 441853 > 1 > 1030 > 9 > 3 > 5 > AAADcfB4PAAAAAAAAAAAAAAAAAAAAYIAAAA0YMEAAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAijSiAAAAAAgAAAACAEAAEgRFBYAIQAiUAAFoAAPIQPI7PzPgAAAAAAAAADAAAYQADAAAYAADAAAAA== > (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-13-methyl-17-(5-oxo-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,13R,14S,17R)-5,14-dihydroxy-3-[[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde > (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-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,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-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,13R,14S,17R)-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-13-methyl-5,14-bis(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,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-17-(5-keto-2H-furan-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde > InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1 > XQCGNURMLWFQJR-ZNDDOCHDSA-N > 0.8 > 548.29853298 > C30H44O9 > 548.7 > CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O > C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O > 132 > 548.29853298 > 0 > 39 > 12 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 1 6 11 40 6 12 25 6 13 41 5 14 28 6 16 29 6 15 2 6 27 3 6 32 3 5 36 38 5 35 8 6 37 9 6 $$$$