1019 3D 56 59 0 0 1 0 0 0 0 0999 V2000 -0.1838 -12.2362 -6.0484 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2064 -11.6032 -4.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0278 -12.2163 -3.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4271 -11.5553 -2.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0073 -10.2803 -2.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1743 -9.6765 -3.8706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7778 -10.3396 -5.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3762 -9.5518 -1.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9953 -9.5760 -0.8473 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -8.7700 -0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3027 -8.1511 0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6468 -8.4734 0.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7435 -7.9467 1.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5586 -6.8482 0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9286 -6.9680 0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 -8.1696 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5646 -5.9359 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -4.7983 -0.7504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5094 -4.6489 -0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7693 -3.3894 -0.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -2.6215 0.3712 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8994 -1.4050 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0987 -0.5179 1.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3586 0.6868 1.2399 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4198 -1.7202 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9421 -0.7429 -1.0988 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2063 -3.1278 -0.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9612 -4.0319 0.3225 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4198 -3.6146 -1.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4563 -2.8676 -2.7745 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8825 -5.6672 0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4267 -13.2012 -3.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -9.8695 -5.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 -12.0377 -1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6089 -8.6827 -3.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4857 -8.6258 -0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8692 -7.4686 1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 -7.5319 2.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3688 -8.7815 1.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8352 -5.5670 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3895 -9.0583 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -8.0335 0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6405 -8.3435 1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6182 -6.0105 -0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3914 -4.0301 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4288 -2.8134 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2807 -4.6661 -1.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3658 -0.8913 -0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -1.0329 2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1558 -0.2519 1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8255 -1.6197 0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5529 1.0639 0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0248 -0.6932 -1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3185 -3.1301 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0148 -3.9835 0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7916 -3.4575 -3.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 20 19 1 0 0 0 0 19 31 2 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 3 32 1 0 0 0 0 7 33 1 0 0 0 0 4 34 1 0 0 0 0 6 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 31 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 20 46 1 0 0 0 0 29 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 25 51 1 0 0 0 0 24 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 30 56 1 0 0 0 0 M END > 91.198977796844815 > InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1 > XTNGUQKDFGDXSJ-ZXGKGEBGSA-N > 1/0/N:16,17,18,4,6,3,7,11,10,31,13,23,15,5,19,14,2,12,22,8,25,27,29,20,1,24,26,28,30,21,9/E:(4,5)(6,7)/it:im/rA:56cFCCCCCCCSCCCCCCCCCCCOCCOCOCOCOCHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;d8;s10;s9d11;s12;s13;d14;s15;s15;d17;s18;s19;s20;s21;s22;s23;s22;s25;s25;s27;s20s27;s29;s14d19;s3;s7;s4;s6;s10;s11;s13;s13;s31;s16;s16;s16;s17;s18;s20;s29;s22;s23;s23;s25;s24;s26;s27;s28;s30;/rC:-.1838,-12.2362,-6.0484;.2064,-11.6032,-4.9338;.0278,-12.2163,-3.6985;.4271,-11.5553,-2.5351;1.0073,-10.2803,-2.6157;1.1743,-9.6765,-3.8706;.7778,-10.3396,-5.031;1.3762,-9.5518,-1.4059;2.9953,-9.576,-.8473;.574,-8.77,-.5999;1.3027,-8.1511,.4559;2.6468,-8.4734,.4232;3.7435,-7.9467,1.3157;4.5586,-6.8482,.6475;5.9286,-6.968,.3588;6.7333,-8.1696,.77;6.5646,-5.9359,-.3489;5.8625,-4.7983,-.7504;4.5094,-4.6489,-.4359;3.7693,-3.3894,-.8263;3.6042,-2.6215,.3712;2.8994,-1.405,.1181;3.0987,-.5179,1.3501;2.3586,.6868,1.2399;1.4198,-1.7202,-.169;.9421,-.7429,-1.0988;1.2063,-3.1278,-.7515;.9612,-4.0319,.3225;2.4198,-3.6146,-1.5519;2.4563,-2.8676,-2.7745;3.8825,-5.6672,.2875;-.4267,-13.2012,-3.6388;.908,-9.8695,-5.9988;.2717,-12.0377,-1.5729;1.6089,-8.6827,-3.9513;-.4857,-8.6258,-.7708;.8692,-7.4686,1.1755;3.298,-7.5319,2.2312;4.3688,-8.7815,1.6523;2.8352,-5.567,.559;6.3895,-9.0583,.2277;7.8,-8.0335,.5582;6.6405,-8.3435,1.8488;7.6182,-6.0105,-.5983;6.3914,-4.0301,-1.305;4.4288,-2.8134,-1.487;2.2807,-4.6661,-1.8311;3.3658,-.8913,-.7348;2.7833,-1.0329,2.2644;4.1558,-.2519,1.4533;.8255,-1.6197,.7479;2.5529,1.0639,.3653;-.0248,-.6932,-1.0003;.3185,-3.1301,-1.395;.0148,-3.9835,.5363;2.7916,-3.4575,-3.4708; > C24 H25 F O5 S > 444.5157 > FC1C([H])=C([H])C(C2=C([H])C([H])=C(C([H])([H])C3C([H])=C([C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O4)C([H])=C([H])C=3C([H])([H])[H])S2)=C([H])C=1[H] > 26333259 $$$$