6013 Marvin 12300703363D 49 52 0 0 1 0 999 V2000 4.8706 1.5741 0.4161 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4119 -2.6022 0.6335 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1712 1.4235 0.6722 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4764 0.7406 0.1460 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1272 0.8710 0.0015 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2896 -0.6762 0.2468 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6093 -1.2864 -0.4107 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3642 -0.7769 0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0553 -1.4545 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 1.5667 0.9405 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4902 2.9345 0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4148 1.6095 0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 3.0095 1.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7968 -0.4163 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6677 1.0441 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7531 0.8749 -1.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8594 -2.7447 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4809 -1.4061 -1.9704 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3122 -3.2650 -0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0123 -0.9210 0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2912 -2.2446 0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0465 1.2000 1.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0427 1.0613 -1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4326 -0.7589 1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -0.9015 1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2296 -1.3233 0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9955 -2.4410 0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -1.6376 -1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6382 1.1690 1.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3358 3.3375 -0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8608 3.5065 1.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3453 2.6761 0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5384 1.5226 1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0852 3.3884 2.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5094 3.7032 0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6307 1.3033 -1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5201 1.6017 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 1.9131 -1.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6898 0.3817 -1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9816 0.4160 -2.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6599 -2.7723 1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1803 -3.4783 -0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2584 -0.4534 -2.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3953 -1.7858 -2.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6921 -2.0981 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4842 -3.5770 -1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4561 -4.1507 0.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7732 -0.2986 0.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1704 0.6419 0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 0 0 0 0 1 49 1 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 11 1 0 0 0 0 3 22 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 7 14 1 0 0 0 0 7 17 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 13 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 M END > 10 1 5 3 22 6 4 16 5 5 23 5 6 24 6 7 18 5 > 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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 > MUMGGOZAMZWBJJ-DYKIIFRCSA-N > 1/0/N:18,16,15,12,11,13,19,9,17,8,20,14,21,5,3,6,10,7,4,2,1/it:im/rA:49cOOCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s5;s6;s4;s6s8;s1s4;s3;s5;s10s11;s7;s12s14;s4;s7;s7;s17;d14;d2s19s20;s3;s5;s6;s8;s8;s9;s9;s10;s11;s11;s12;s12;s13;s13;s15;s15;s16;s16;s16;s17;s17;s18;s18;s18;s19;s19;s20;s1;/rC:4.8706,1.5741,.4161;-5.4119,-2.6022,.6335;1.1712,1.4235,.6722;2.4764,.7406,.146;-.1272,.871,.0015;-.2896,-.6762,.2468;-1.6093,-1.2864,-.4107;2.3642,-.7769,.5182;1.0553,-1.4545,.0046;3.5417,1.5667,.9405;1.4902,2.9345,.6358;-1.4148,1.6095,.4596;2.98,3.0095,1.0392;-2.7968,-.4163,-.1322;-2.6677,1.0441,-.2454;2.7531,.8749,-1.3956;-1.8594,-2.7447,.1488;-1.4809,-1.4061,-1.9704;-3.3122,-3.265,-.0281;-4.0123,-.921,.1903;-4.2912,-2.2446,.2937;1.0465,1.2,1.7426;-.0427,1.0613,-1.0699;-.4326,-.7589,1.3318;2.406,-.9015,1.604;3.2296,-1.3233,.1306;.9955,-2.441,.4725;1.194,-1.6376,-1.0595;3.6382,1.169,1.9561;1.3358,3.3375,-.3687;.8608,3.5065,1.3234;-1.3453,2.6761,.2289;-1.5384,1.5226,1.5436;3.0852,3.3884,2.0605;3.5094,3.7032,.3803;-2.6307,1.3033,-1.3066;-3.5201,1.6017,.158;2.837,1.9131,-1.7198;3.6898,.3817,-1.6639;1.9816,.416,-2.0128;-1.6599,-2.7723,1.2243;-1.1803,-3.4783,-.2955;-1.2584,-.4534,-2.4511;-2.3953,-1.7858,-2.4311;-.6921,-2.0981,-2.269;-3.4842,-3.577,-1.0613;-3.4561,-4.1507,.5986;-4.7732,-.2986,.3553;5.1704,.6419,.4344; > C19 H28 O2 > 288.4244 > O([H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@@]21C([H])([H])[H])=O > 5791 $$$$