160520 -OEChem-10191521332D 78 81 0 1 0 0 0 0 0999 V2000 7.0628 1.1692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9506 -3.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -3.3831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.3308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -1.3308 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -1.8308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -1.3308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -1.8376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -0.0261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 0.1692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -0.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -2.8792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -1.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.8723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4586 -0.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 0.9244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3433 -3.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -1.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.8865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1642 1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 3.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7425 3.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0962 3.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -2.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -2.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 0.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5997 0.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.2518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.4385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.7292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -2.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6116 -2.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.2455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.4161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.8760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.8069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.6692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.2892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.6692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.5138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -3.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.8425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -0.2177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -1.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.9029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -3.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 1.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 0.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 1.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9578 -3.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.0828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 1.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 2.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 2.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4739 1.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0672 2.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1781 2.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8704 2.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5577 4.3963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6821 4.4437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6347 3.5682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3492 3.5720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6147 4.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 1 60 1 0 0 0 0 14 2 1 6 0 0 0 2 63 1 0 0 0 0 23 3 1 6 0 0 0 3 69 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 18 1 1 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 31 1 6 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 32 1 1 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 33 1 6 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 1 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 9 34 1 6 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 16 1 0 0 0 0 12 20 1 0 0 0 0 12 38 1 1 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 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 22 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 6 0 0 0 19 51 1 0 0 0 0 20 23 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 23 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 24 26 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 27 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 28 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 72 1 0 0 0 0 29 73 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 M END > 160520 > 1 > 605 > 3 > 3 > 5 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGDAAAAAGgAACAAADxSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGA4PQPgAAAAAAAAADAAAYAADAAAQAACAAAAA== > (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol > (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol > (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol > (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol > (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol > InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 > RIVQQZVHIVNQFH-XJZYBRFWSA-N > 6.7 > 420.360345 > C27H48O3 > 420.66822 > CC(C)CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C > C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C > 60.7 > 420.360345 > 0 > 30 > 11 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 1 6 12 38 5 19 25 6 14 2 6 23 3 6 4 18 5 5 31 6 6 32 5 7 33 6 8 21 5 9 34 6 $$$$