41 38 0 0000 0 0 0 0 0999 V2000 0.0000 -5.7382 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 2.6833 -10.3617 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 23.3242 -10.3617 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 4.6648 -11.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 25.3058 -11.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.0043 -10.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 24.6453 -10.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6648 -9.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 25.3058 -9.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.9859 -9.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 26.6268 -9.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.6464 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 27.2873 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0087 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 28.6496 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.6692 -6.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 29.3101 -6.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.9902 -6.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 30.6311 -6.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.6507 -5.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 31.2916 -5.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.9717 -5.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 32.6127 -5.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.6322 -4.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 33.2732 -4.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.9945 -4.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 34.6355 -4.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.6551 -3.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 35.2960 -3.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.9761 -3.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 36.6170 -3.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.6366 -2.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 37.2775 -2.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.9576 -2.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 38.5985 -2.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 18.6594 -1.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 39.3003 -1.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 19.9804 -1.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 40.6213 -1.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 20.6409 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 41.2818 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 3 7 1 0 4 6 2 0 5 7 2 0 6 8 1 0 7 9 1 0 8 10 1 0 9 11 1 0 10 12 1 0 11 13 1 0 12 14 1 0 13 15 1 0 14 16 1 0 15 17 1 0 16 18 1 0 17 19 1 0 18 20 1 0 19 21 1 0 20 22 1 0 21 23 1 0 22 24 1 0 23 25 1 0 24 26 1 0 25 27 1 0 26 28 1 0 27 29 1 0 28 30 1 0 29 31 1 0 30 32 1 0 31 33 1 0 32 34 1 0 33 35 1 0 34 36 1 0 35 37 1 0 36 38 1 0 37 39 1 0 38 40 1 0 39 41 1 0 M CHG 3 1 2 2 -1 3 -1 M END > InChI=1S/2C18H36O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2 > CJZGTCYPCWQAJB-UHFFFAOYSA-L > 1/1/N:40,38,36,34,32,30,28,26,24,22,20,18,16,14,12,10,8,6,2,4;41,39,37,35,33,31,29,27,25,23,21,19,17,15,13,11,9,7,3,5;1/E:2*(19,20);/rA:41nCa+2O-O-OOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:;;;;s2d4;s3d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s36;s37;s38;s39;/rC:0,-5.7382,0;2.6833,-10.3617,0;23.3242,-10.3617,0;4.6648,-11.5176,0;25.3058,-11.5176,0;4.0043,-10.3617,0;24.6453,-10.3617,0;4.6648,-9.2058,0;25.3058,-9.2058,0;5.9859,-9.2058,0;26.6268,-9.2058,0;6.6464,-8.05,0;27.2873,-8.05,0;8.0087,-8.05,0;28.6496,-8.05,0;8.6692,-6.8941,0;29.3101,-6.8941,0;9.9902,-6.8941,0;30.6311,-6.8941,0;10.6507,-5.7382,0;31.2916,-5.7382,0;11.9717,-5.7382,0;32.6127,-5.7382,0;12.6322,-4.5823,0;33.2732,-4.5823,0;13.9945,-4.5823,0;34.6355,-4.5823,0;14.6551,-3.4264,0;35.296,-3.4264,0;15.9761,-3.4264,0;36.617,-3.4264,0;16.6366,-2.3118,0;37.2775,-2.3118,0;17.9576,-2.3118,0;38.5985,-2.3118,0;18.6594,-1.1559,0;39.3003,-1.1559,0;19.9804,-1.1559,0;40.6213,-1.1559,0;20.6409,0,0;41.2818,0,0; > C36 H70 Ca O4 > 607.0166 > [Ca+2].[O-]C(CCCCCCCCCCCCCCCCC)=O.[O-]C(CCCCCCCCCCCCCCCCC)=O > 14587 $$$$