36 42 0 0001 0 0 0 0 0999 V2000 35.0000 -77.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 26.3397 -82.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 26.3397 -92.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 35.0000 -97.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 43.6602 -92.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 43.6602 -82.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 51.4786 -98.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 61.2278 -96.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 65.5667 -87.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 61.2278 -78.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 51.4786 -76.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 75.5387 -87.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 81.1719 -78.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 76.8331 -69.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 66.8610 -69.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 82.3667 -95.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 92.2198 -91.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 92.2198 -81.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 100.0520 -74.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 108.7122 -79.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 117.3725 -74.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 117.3725 -64.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 108.7122 -59.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 100.0520 -64.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 126.0327 -79.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 134.6930 -74.9711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 134.6930 -64.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 126.0327 -59.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 26.3102 -92.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 26.3102 -82.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 34.9705 -97.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 35.0000 -67.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 53.6945 -87.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 72.9505 -97.2843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 17.6795 -77.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 88.2430 -71.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 6 2 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 10 2 0 12 16 1 0 16 17 1 0 17 18 1 0 18 13 1 0 18 19 1 1 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 19 1 0 21 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 22 1 0 3 29 1 6 1 32 1 6 5 33 1 6 9 33 1 6 12 34 1 6 2 35 1 1 13 36 1 1 29 30 1 0 29 31 1 0 M END > InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24?,25-,26-,27-,28-,29-,30-/m1/s1 > KSGZCKSNTAJOJS-CTRILWBDSA-N > 1/0/N:36,30,31,23,24,17,16,15,28,14,7,8,27,20,11,4,25,22,19,21,10,18,6,3,12,1,2,13,5,9,26,29,32,35,33/E:(2,3)/it:im/rA:36cCCCCCCCCCCCCCCCCCCCCCCCCCNCCNCCOOHOC/rB:s1;s2;s3;s4;s1s5;s5;s7;s8;s9;d6s10;s9;s12;s13;d10s14;s12;s16;s13s17;P18;d19;s20;d21;s22;s19d23;s21;d25;s26;s22d27;N3;s29;s29;N1;N5N9;N12;P2;P13;/rC:35,-77.625,0;26.3397,-82.625,0;26.3397,-92.625,0;35,-97.625,0;43.6602,-92.625,0;43.6602,-82.625,0;51.4786,-98.8599,0;61.2278,-96.6347,0;65.5667,-87.625,0;61.2278,-78.6153,0;51.4786,-76.3901,0;75.5387,-87.625,0;81.1719,-78.6153,0;76.8331,-69.6056,0;66.861,-69.6056,0;82.3667,-95.7666,0;92.2198,-91.7888,0;92.2198,-81.1886,0;100.052,-74.9711,0;108.7122,-79.9711,0;117.3725,-74.9711,0;117.3725,-64.9711,0;108.7122,-59.9711,0;100.052,-64.9711,0;126.0327,-79.9711,0;134.693,-74.9711,0;134.693,-64.9711,0;126.0327,-59.9711,0;26.3102,-92.6,0;26.3102,-82.6,0;34.9705,-97.6,0;35,-67.625,0;53.6945,-87.4118,0;72.9505,-97.2843,0;17.6795,-77.625,0;88.243,-71.5442,0; > C30 H36 N2 O3 > 472.6184 > [C@@H]1(O)C2=CC3=CC[C@]4(C)[C@@H](C5C=CC6C=CN=CC=6C=5)CC[C@@]4([H])[C@@]43O[C@]2(CC4)C[C@H](N(C)C)[C@H]1O > 28283308 $$$$