6128 Marvin 12300703363D 47 50 0 0 1 0 999 V2000 4.7384 1.2611 1.2096 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1804 -2.5481 0.7802 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 0.9313 -0.0002 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1044 -0.6170 0.2495 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3373 1.4846 0.6965 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6516 0.8049 0.1911 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4182 -1.2389 -0.4083 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2483 -1.3850 0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5409 -0.7081 0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2427 1.6643 0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6891 2.9883 0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6085 -0.3707 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 1.6307 0.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4859 1.0890 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1487 2.9712 1.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6589 -2.7003 0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0168 0.9388 -1.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2865 -1.3634 -1.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1171 -3.2164 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8125 -0.8729 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0829 -2.1952 0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1614 1.1187 -1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2529 -0.7004 1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1794 1.2545 1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1869 -2.3813 0.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4053 -1.5428 -1.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5615 -0.8226 1.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 -1.2567 0.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1751 2.7313 0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 1.5772 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 3.4004 -0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0406 3.5797 1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4377 1.3341 -1.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3454 1.6501 0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 3.1536 2.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7536 3.7266 0.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -2.7390 1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9966 -3.4347 -0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2628 0.4988 -1.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1437 1.9722 -1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9569 0.4239 -1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0764 -0.4102 -2.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1955 -1.7597 -2.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 -2.0444 -2.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3201 -3.5185 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2463 -4.1075 0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 -0.2514 0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 21 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 3 22 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 24 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 20 2 0 0 0 0 13 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 19 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 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 18 44 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 M END > 3 22 5 4 23 6 5 24 6 6 17 5 7 18 5 > InChI=1S/C19H26O2/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/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 > AEMFNILZOJDQLW-QAGGRKNESA-N > 1/0/N:18,17,14,10,11,15,19,8,16,9,20,12,21,3,5,4,13,7,6,2,1/it:im/rA:47cOOCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s5;s4;s4;s6s8;s3;s5;s7;d1s6;s10s12;s11s13;s7;s6;s7;s16;d12;d2s19s20;s3;s4;s5;s8;s8;s9;s9;s10;s10;s11;s11;s14;s14;s15;s15;s16;s16;s17;s17;s17;s18;s18;s18;s19;s19;s20;/rC:4.7384,1.2611,1.2096;-5.1804,-2.5481,.7802;.0542,.9313,-.0002;-.1044,-.617,.2495;1.3373,1.4846,.6965;2.6516,.8049,.1911;-1.4182,-1.2389,-.4083;1.2483,-1.385,.0191;2.5409,-.7081,.5758;-1.2427,1.6643,.4433;1.6891,2.9883,.6856;-2.6085,-.3707,-.1303;3.612,1.6307,.9088;-2.4859,1.089,-.271;3.1487,2.9712,1.1936;-1.6589,-2.7003,.1506;3.0168,.9388,-1.3307;-1.2865,-1.3634,-1.9669;-3.1171,-3.2164,.013;-3.8125,-.8729,.2281;-4.0829,-2.1952,.3706;.1614,1.1187,-1.0706;-.2529,-.7004,1.3336;1.1794,1.2545,1.7632;1.1869,-2.3813,.4646;1.4053,-1.5428,-1.0472;2.5615,-.8226,1.6634;3.4142,-1.2567,.2088;-1.1751,2.7313,.2145;-1.3799,1.5772,1.526;1.62,3.4004,-.3252;1.0406,3.5797,1.3378;-2.4377,1.3341,-1.3348;-3.3454,1.6501,.1124;3.187,3.1536,2.2712;3.7536,3.7266,.6855;-1.4268,-2.739,1.2191;-.9966,-3.4347,-.3176;2.2628,.4988,-1.9819;3.1437,1.9722,-1.6617;3.9569,.4239,-1.5467;-1.0764,-.4102,-2.4522;-2.1955,-1.7597,-2.4245;-.4861,-2.0444,-2.2601;-3.3201,-3.5185,-1.0174;-3.2463,-4.1075,.6355;-4.574,-.2514,.3963; > C19 H26 O2 > 286.4085 > O=C1C([H])([H])C([H])([H])[C@]2([H])[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]1([H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])C(C([H])=C3C([H])([H])C([H])([H])[C@]12[H])=O > 5898 $$$$