CDK 9/10/12,15:49 37 41 0 0 0 0 0 0 0 0999 V2000 -2.8068 -23.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -20.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3456 -20.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3868 -23.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3706 -22.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6164 -22.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0989 -22.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8413 -21.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8068 -24.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4482 -24.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2477 -24.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 -23.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7079 -19.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8163 -21.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4565 -22.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2196 -22.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6616 -21.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0989 -24.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -22.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -24.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4304 -23.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2602 -22.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9537 -20.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8152 -22.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2036 -20.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1661 -20.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6788 -23.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0333 -22.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2358 -25.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8604 -25.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2416 -19.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5872 -19.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -20.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2826 -19.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4242 -20.9306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 -23.6999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5944 -24.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 2 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 17 1 0 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 22 1 0 0 0 0 13 3 1 0 0 0 0 14 19 1 0 0 0 0 15 1 1 0 0 0 0 16 7 1 0 0 0 0 17 16 1 0 0 0 0 18 9 1 0 0 0 0 19 5 1 0 0 0 0 20 18 1 0 0 0 0 21 12 2 0 0 0 0 22 15 1 0 0 0 0 23 2 1 0 0 0 0 1 24 1 1 0 0 0 2 25 1 6 0 0 0 3 26 1 1 0 0 0 4 27 1 1 0 0 0 5 28 1 6 0 0 0 29 10 1 0 0 0 0 30 10 1 0 0 0 0 31 32 1 0 0 0 0 32 23 1 0 0 0 0 33 13 1 0 0 0 0 34 13 1 0 0 0 0 8 35 1 1 0 0 0 7 36 1 6 0 0 0 9 37 1 6 0 0 0 12 11 1 0 0 0 0 4 20 1 0 0 0 0 5 8 1 0 0 0 0 3 14 1 0 0 0 0 31 13 1 0 0 0 0 M END > CHEBI:67817 > cupacinoxepin, (rel)- > A natural product found in Cupania cinerea. > 2 > rel-(5aR,7aR,8aR,10aS,14aR,14bR,16aR,16bS)-5,5,7a,8a,10a,11,11,14a,16b-Nonamethylicosahydronaphtho[2,1-b]oxepino[4,3-g][1]benzoxepin-3(2H)-one > C31H52O3 > 472.74280 > 472.39165 > 0 > [H][C@@]12CC[C@@]3(C)O[C@]4(C)CC[C@@]5(C)C(C)(C)CCC[C@]5(C)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CCC(=O)OC2(C)C > InChI=1S/C31H52O3/c1-25(2)15-10-16-28(6)23-12-11-22-27(5)17-14-24(32)33-26(3,4)21(27)13-18-29(22,7)34-30(23,8)19-20-31(25,28)9/h21-23H,10-20H2,1-9H3/t21-,22+,23+,27-,28+,29+,30+,31-/m0/s1 > ZOSNTVJOXIRCCT-ISLDYSMMSA-N > 21438586 $$$$