16407310 -OEChem-05092421032D 59 63 0 1 0 0 0 0 0999 V2000 5.2710 -3.6706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -3.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 -0.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1177 3.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -1.1221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2868 -1.6290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -1.6221 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2787 -2.6706 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9288 -0.1221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9288 -1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 0.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -1.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 0.1826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3433 -3.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -1.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.6778 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4586 -0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 -0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 1.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1642 1.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8285 2.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8070 3.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6021 -1.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -3.2440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -2.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.6643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 0.8528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 0.8528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 0.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.6963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -3.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -1.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -3.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.2074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0676 -2.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -0.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.4979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8056 -3.9847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9112 1.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5783 0.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4145 3.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 55 1 0 0 0 0 2 20 1 0 0 0 0 2 56 1 0 0 0 0 3 23 2 0 0 0 0 4 27 1 0 0 0 0 4 29 1 0 0 0 0 5 29 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 30 1 6 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 23 1 1 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 0 0 0 0 9 14 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 24 1 1 0 0 0 11 22 2 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 19 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 21 1 0 0 0 0 17 25 1 6 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 M END > 16407310 > 1 > 840 > 5 > 2 > 2 > AAADceB4OAAAAAAAAAAAAAAAAAAAAQAAAAAwYMEAAAAAAEDAAAAAGgAACAAAD1SggAICCAAABgCIAijSiAAACAAgIAAICAEAAEgIFBYAIQAAUAAFoAAIoYOI7PTPgAAAAAAAAADAAAYQADAAAAAAAAAAAA== > (9S,10S,13R,17R)-3,5-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde > (9S,10S,13R,17R)-3,5-dihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde > (9S,10S,13R,17R)-3,5-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde > (9S,10S,13R,17R)-3,5-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde > (9S,10S,13R,17R)-13-methyl-3,5-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde > (9S,10S,13R,17R)-3,5-dihydroxy-17-(6-ketopyran-3-yl)-13-methyl-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde > InChI=1S/C24H30O5/c1-22-9-8-20-17(7-11-24(28)12-16(26)6-10-23(20,24)14-25)19(22)4-3-18(22)15-2-5-21(27)29-13-15/h2,4-5,13-14,16-18,20,26,28H,3,6-12H2,1H3/t16?,17?,18-,20-,22+,23-,24?/m0/s1 > GINUJYZEMXGGKW-ZIRAPXTMSA-N > 2.4 > 398.20932405 > C24H30O5 > 398.5 > CC12CCC3C(C1=CCC2C4=COC(=O)C=C4)CCC5(C3(CCC(C5)O)C=O)O > C[C@]12CC[C@H]3C(C1=CC[C@H]2C4=COC(=O)C=C4)CCC5([C@@]3(CCC(C5)O)C=O)O > 83.8 > 398.20932405 > 0 > 29 > 4 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 9 1 3 10 24 5 17 25 6 20 2 3 25 26 8 25 27 8 26 28 8 28 29 8 4 27 8 4 29 8 6 30 6 7 23 5 8 13 3 $$$$