Mrv1533004171520142D 27 32 0 0 0 0 999 V2000 0.4266 -1.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5149 -1.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 -0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9356 -1.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3578 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1423 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3134 -1.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4584 -0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5605 0.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5754 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 1.6148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7098 1.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9983 -0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7671 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0343 1.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0427 1.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7982 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0938 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 0.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2768 0.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8139 1.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9911 1.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 2.1024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5442 1.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 2.2240 0.0000 O 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 5 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 1 0 0 0 0 12 13 1 0 0 0 0 8 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 11 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 5 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 10 26 1 0 0 0 0 18 26 1 0 0 0 0 26 27 1 0 0 0 0 16 27 1 0 0 0 0 M END > NP0330418 > NP-MRD > COC(=O)C1(CO)C2CC3N(C\C2=C\C)C2CC11C4=CC=CC=C4NC31O2 > InChI=1S/C21H24N2O4/c1-3-12-10-23-16-8-14(12)19(11-24,18(25)26-2)20-9-17(23)27-21(16,20)22-15-7-5-4-6-13(15)20/h3-7,14,16-17,22,24H,8-11H2,1-2H3/b12-3- > MPNPJQYCBQXPGW-BASWHVEKSA-N > C21H24N2O4 > 368.433 > 368.173607261 > 5 > 51 > 38.12586595431709 > 1 > 2 > 0 > 1 > methyl (14E)-14-ethylidene-19-(hydroxymethyl)-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate > 1.89 > 1.6275141433333329 > -1.99 > 0 > 6 > 0 > 14.82552341330296 > 11.6150402379366 > 4.800590311825462 > 71.03 > 100.57420000000002 > 3 > 1 > 3.74e+00 g/l > methyl (14E)-14-ethylidene-19-(hydroxymethyl)-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate > 0 > NP0330418 > methyl (14e)-14-ethylidene-19-(hydroxymethyl)-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate $$$$