ANO Mrv0541 02241213232D 25 28 0 0 0 0 999 V2000 1.4605 -0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2726 -0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5529 0.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 0.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0211 0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2089 0.6519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6771 1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4153 0.3615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1165 -0.2692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9286 -0.1240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1638 -1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9759 -1.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5077 -0.5596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2274 0.2163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8787 0.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5616 0.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3323 -0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8386 -1.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8676 -1.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6483 -0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 1.2011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7917 0.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3176 -0.8174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 0.7832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 22 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 23 1 1 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 6 0 0 0 11 21 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 1 0 0 0 15 16 1 0 0 0 0 15 25 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 M END > DB07375 > drugbank > [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C > InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1 > InChIKey=RAJWOBJTTGJROA-QJISAEMRSA-N > 2 > 33.77680900829399 > 1 > 0 > 288.20893014 > 0 > C19H28O2 > 1 > (1S,2S,7R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14-dione > 3.40 > 3.9747853383333336 > -4.59 > 288.4244 > 0 > 4 > 0 > 19.776207883092308 > -7.108868634299542 > 34.14 > 82.78079999999999 > 0 > 1 > 7.39e-03 g/l > 5β-androstane-3,17-dione > 1 > DB07375 > experimental > 5-BETA-ANDROSTANE-3,17-DIONE $$$$