Ketcher 03092014002D 1 1.00000 0.00000 0 30 34 0 1 0 999 V2000 10.2087 -7.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0746 -7.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2129 -8.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5766 -6.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9449 -7.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0661 -6.0985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0832 -9.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0798 -6.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9535 -8.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8142 -7.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7887 -8.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9406 -5.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8185 -6.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6367 -7.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0704 -8.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0797 -10.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9608 -10.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1986 -10.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9556 -11.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7894 -9.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6734 -9.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6740 -10.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5564 -9.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2614 -7.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6801 -8.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2680 -8.9156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8529 -6.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8632 -6.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6905 -8.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2820 -7.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 5 10 1 0 0 0 5 11 1 6 0 0 6 12 1 0 0 0 10 13 1 0 0 0 11 14 1 0 0 0 6 8 1 0 0 0 7 9 1 0 0 0 12 13 1 0 0 0 2 15 1 6 0 0 7 16 1 0 0 0 1 2 1 0 0 0 16 17 1 0 0 0 16 18 2 0 0 0 17 19 1 0 0 0 11 20 1 0 0 0 20 21 1 0 0 0 1 4 1 1 0 0 21 22 2 0 0 0 2 5 1 0 0 0 21 23 1 0 0 0 1 24 1 0 0 0 1 3 1 0 0 0 3 26 1 0 0 0 25 26 1 0 0 0 24 27 1 0 0 0 24 25 2 0 0 0 27 28 2 0 0 0 25 29 1 0 0 0 28 30 1 0 0 0 29 30 2 0 0 0 M END > CHEBI:4752 > (-)-echitovenine > An Aspidosperma alkaloid that is (5α,12β,19α)-2,3-didehydroaspidospermidine which is substituted by a methoxycarbonyl group at position 3 and by an acetoxy group at position 20. > 3 > methyl 20-acetoxy-2,3-didehydro-5alpha,12beta,19alpha-aspidospermidine-3-carboxylate; methyl 20-(acetyloxy)-5alpha,12beta,19alpha-2,3-didehydroaspidospermidine-3-carboxylate; methyl (5alpha,12beta,19alpha)-20-acetoxy-2,3-didehydroaspidospermidine-3-carboxylate > C23H28N2O4 > 396.487 > 396.20491 > 0 > [C@@]123[C@]4(N(CCC[C@]4(CC(=C1NC5=C2C=CC=C5)C(OC)=O)C(C)OC(=O)C)CC3)[H] > InChI=1S/C23H28N2O4/c1-14(29-15(2)26)22-9-6-11-25-12-10-23(21(22)25)17-7-4-5-8-18(17)24-19(23)16(13-22)20(27)28-3/h4-5,7-8,14,21,24H,6,9-13H2,1-3H3/t14?,21-,22-,23-/m0/s1 > UELNVPGLHDEZFM-PKQGEJGHSA-N > C11784 > 21454651 $$$$