15478 -OEChem-01131113502D 62 66 0 1 0 0 0 0 0999 V2000 7.9288 -2.0254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 1.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -3.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1885 2.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9491 3.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -1.0254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0628 -1.5254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -0.0254 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -1.0254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -1.5323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 0.4746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2787 -2.5739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 0.2793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -1.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -0.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -3.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -1.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.5811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1857 1.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5993 2.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1373 1.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1390 2.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -1.9447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5997 0.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.4239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.1331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 0.3755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -1.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -3.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -2.4514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.5706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.5676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.9401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.1107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -3.5965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.5371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 0.0877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -0.9108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 -2.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4658 -2.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 1.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1393 2.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 1.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6383 1.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 1 0 0 0 1 57 1 0 0 0 0 11 2 1 1 0 0 0 2 58 1 0 0 0 0 24 3 1 1 0 0 0 3 62 1 0 0 0 0 4 26 1 0 0 0 0 4 28 1 0 0 0 0 5 28 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 29 1 1 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 20 1 1 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 6 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 10 22 1 1 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 12 32 1 1 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 14 25 1 1 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 23 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 24 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 M END > 15478 > 1 > 718 > 5 > 3 > 1 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYIAAAAwYMAAAAAAAGDAAAAAGgAACAAAD1SggAICCAAABgCIAiDSCAAAAAAgAAAACAAAAEgAFAIAIQACUAAFgAAIIQOA4PwPgAAAAAAAAADAAAYQADAAAYAADAAAAA== > 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-10,13-dimethyl-3,12,14-tris(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1 > SHIBSTMRCDJXLN-KCZCNTNESA-N > 1.1 > 390.240624 > C23H34O5 > 390.51306 > CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O)O > C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O > 87 > 390.240624 > 0 > 28 > 9 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 6 1 5 10 22 5 12 32 5 14 25 5 11 2 5 24 3 5 7 29 5 8 20 5 9 30 6 $$$$