Marvin 01010805563D 59 63 0 0 1 0 999 V2000 -1.0827 1.8250 -1.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3673 -2.4016 -1.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2467 -1.7881 -1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1325 2.5720 -2.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -0.2026 -2.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2062 0.4213 -1.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1079 4.0745 -0.7186 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2416 -3.7029 -2.1837 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 3.7879 -1.6789 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -1.6039 -2.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1465 -0.3861 -0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6468 0.5886 -3.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6999 2.7737 -0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7642 1.9836 -2.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5561 2.7066 1.6477 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7026 -4.8836 -1.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3795 1.7724 1.1830 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2119 -0.9868 0.5293 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9445 0.4120 0.6331 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1390 -2.5591 -0.2843 C 0 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2.0572 4.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2729 -2.1766 -3.5373 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9045 0.1337 0.0311 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4442 0.0530 -3.9637 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5388 -1.2439 2.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1992 -3.2526 3.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3566 0.7887 -0.6809 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3932 -1.9469 -0.1963 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0944 5.1431 -1.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7767 2.8454 -3.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2246 1.6930 2.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 -1.5014 1.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 6.5949 1.5719 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9365 4.7570 1.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4294 -1.7832 4.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3999 -7.0794 -2.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0916 1.3014 2.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 -4.4257 0.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2931 7.6115 2.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 3 20 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 11 1 0 0 0 0 7 13 1 0 0 0 0 7 26 1 0 0 0 0 7 49 1 0 0 0 0 7 9 1 0 0 0 0 8 16 1 0 0 0 0 10 42 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 14 2 0 0 0 0 13 34 2 0 0 0 0 14 50 1 0 0 0 0 15 21 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 25 1 0 0 0 0 16 36 2 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 52 1 0 0 0 0 19 47 1 0 0 0 0 20 24 2 0 0 0 0 21 32 1 0 0 0 0 21 54 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 48 1 0 0 0 0 23 39 1 0 0 0 0 25 35 2 0 0 0 0 25 56 1 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 28 46 1 0 0 0 0 28 55 1 0 0 0 0 28 45 1 0 0 0 0 29 31 2 0 0 0 0 30 41 2 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 32 53 1 0 0 0 0 33 35 1 0 0 0 0 33 40 2 0 0 0 0 37 45 1 0 0 0 0 38 46 1 0 0 0 0 39 40 1 0 0 0 0 39 58 1 0 0 0 0 53 59 1 0 0 0 0 M END > InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 > JQXXHWHPUNPDRT-WLSIYKJHSA-N > 1/1/N:58,56,54,52,51,50,57,49,55,59,33,40,35,31,45,46,37,38,29,20,39,25,21,18,17,14,30,3,32,6,5,1,2,23,19,12,11,10,15,4,13,16,7,24,8,28,22,41,48,47,44,43,42,34,36,53,26,27,9/E:(15,16)(17,18)/it:im/rA:59cCCCCCCCNOCCCCCCCCCCCCNCNCOONCCCCCOCOCCCCOOOOCCOOCCCCOCCCCCC/rB:;s2;d1;;s1d5;;s2;s4s7;d2s5;d3s6;s5;s1s7;s4d12;;s8;s15;;s17s18;s3;s15;;s18;d20s22;s16;s7;s15;;s26;s27;d29;s21s31;;d13;d25s33;d16;s22;s22;s23;d33s39;d30;s10;s11;s12;s28s37;s28s38;s19;s23;s7;s14;s17;s18;s32;s21;s28;s25;s30;s39;s53;/rC:-1.0827,1.825,-1.3061;-1.3673,-2.4016,-1.9372;-2.2467,-1.7881,-1.0142;-.1325,2.572,-2.0044;-.33,-.2026,-2.4586;-1.2062,.4213,-1.5122;-1.1079,4.0745,-.7186;-1.2416,-3.7029,-2.1837;-.224,3.7879,-1.6789;-.454,-1.6039,-2.6728;-2.1465,-.3861,-.821;.6468,.5886,-3.1406;-1.6999,2.7737,-.5146;.7642,1.9836,-2.9149;3.5561,2.7066,1.6477;-1.7026,-4.8836,-1.9482;2.3795,1.7724,1.183;2.2119,-.9868,.5293;2.9445,.412,.6331;-3.139,-2.5591,-.2843;3.4871,4.2267,1.2601;-5.1428,-2.5919,.9322;2.9743,-2.0824,-.3205;-4.2487,-2.1385,.2075;-.8907,-5.9091,-2.3223;-.5886,4.4752,.4541;3.9688,2.5032,2.9202;-6.4041,-2.3689,3.3548;.5791,4.7839,.67;4.9726,1.9823,3.4447;1.1424,4.8633,1.8736;2.5393,5.2255,2.0224;1.4147,-5.2514,-1.5789;-2.5931,2.6167,.3077;.4383,-5.9891,-2.1497;-2.8096,-5.0669,-1.4565;-6.2958,-1.7757,.9327;-5.0109,-3.7243,1.7797;2.7152,-3.6314,-.3572;1.4479,-4.1195,-.8605;5.017,2.0572,4.662;.2729,-2.1766,-3.5373;-2.9045,.1337,.0311;1.4442,.053,-3.9637;-6.5388,-1.2439,2.3787;-5.1992,-3.2526,3.257;3.3566,.7887,-.6809;4.3932,-1.9469,-.1963;-2.0944,5.1431,-1.2432;1.7767,2.8454,-3.5711;1.2246,1.693,2.2103;1.8458,-1.5014,1.9387;2.683,6.5949,1.5719;4.9365,4.757,1.1916;-6.4294,-1.7832,4.6964;-1.3999,-7.0794,-2.996;6.0916,1.3014,2.8336;3.1137,-4.4257,.9131;2.2931,7.6115,2.5071; > C43 H58 N4 O12 > 822.9402 > C12C(=O)[C@@]3(OC=1C(C)=C(O)C1C(O)=C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO3)C(/C=N/N3CCN(CC3)C)=C(O)C2=1)C |c:19,t:21,43| > 10468813 $$$$