Mrv0541 09211104582D 84 89 0 0 0 0 999 V2000 2.0210 -2.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7489 -2.8115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2873 -3.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0151 -4.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5535 -4.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3641 -4.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9025 -5.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7131 -5.1582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2515 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 -5.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3342 -4.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7957 -4.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2239 -3.5204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0269 -3.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7048 -3.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4509 -3.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1289 -3.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8750 -3.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5191 -4.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8411 -4.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0950 -4.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9852 -4.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4468 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 -3.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0978 -3.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 -2.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1805 -2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8316 -1.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1037 -1.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2046 -4.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9324 -5.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4709 -5.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1219 -5.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1503 -6.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9608 -6.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2329 -7.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0435 -7.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4992 -5.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3098 -5.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5819 -6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2271 -4.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7655 -4.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4933 -3.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4165 -4.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3634 -1.3367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9162 -1.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1242 -1.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4363 -3.4934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -4.9635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4302 -5.7882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2557 -4.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9591 -5.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6874 -6.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5168 -4.7216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4392 -6.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8489 -6.5752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2069 -6.5269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8341 -6.1186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7422 -2.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7748 -2.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2649 -4.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7614 -3.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2789 -2.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0526 -5.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1447 -5.6981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8011 -4.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3156 -3.3617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9763 -4.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0295 -3.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8168 -4.1643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9643 -0.2096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -0.5377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4563 -1.8263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3353 -6.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -6.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0212 -7.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8234 -7.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3964 -6.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -7.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6094 -6.6363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7168 -2.5586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9354 -2.7636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3315 -3.1304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7699 -3.9584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 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 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 16 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 11 21 1 0 0 0 0 14 21 1 0 0 0 0 12 22 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 3 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 4 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 35 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 38 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 41 44 2 0 0 0 0 33 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 3 48 1 0 0 0 0 4 49 1 0 0 0 0 5 50 1 0 0 0 0 5 51 1 0 0 0 0 6 52 1 0 0 0 0 7 53 1 0 0 0 0 7 54 1 0 0 0 0 9 55 1 0 0 0 0 9 56 1 0 0 0 0 10 57 1 0 0 0 0 10 58 1 0 0 0 0 13 59 1 0 0 0 0 15 60 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 19 64 1 0 0 0 0 20 65 1 0 0 0 0 22 66 1 0 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 24 69 1 0 0 0 0 25 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 34 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 40 78 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 43 81 1 0 0 0 0 43 82 1 0 0 0 0 43 83 1 0 0 0 0 44 84 1 0 0 0 0 M END > t3db > T3D2713 > COC1C(CC2CN3CCC4=C(NC5=CC(OC)=CC=C45)C3CC2C1C(=O)OC)OC(=O)C1=CC(OC)=C(OC)C(OC)=C1 > InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3 > InChIKey=QEVHRUUCFGRFIF-UHFFFAOYSA-N > 8 > 66.38879530095967 > 1 > 608.273380888 > 0 > C33H40N2O9 > methyl 6,18-dimethoxy-17-[(3,4,5-trimethoxyphenyl)carbonyloxy]-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate > 3.531495942666668 > 608.6787 > 117.78000000000002 > 161.41849999999994 > 10 > methyl 6,18-dimethoxy-17-[(3,4,5-trimethoxyphenyl)carbonyloxy]-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate $$$$