Mrv1652309052221512D 27 31 0 0 1 0 999 V2000 8.2684 1.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6062 1.7490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8489 1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1868 1.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4295 1.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3344 0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9966 0.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7539 0.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7332 -0.5072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2109 -1.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -0.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4162 -1.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6618 0.2890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5599 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8563 1.5385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7408 0.5901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0853 -0.3011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2644 -0.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8174 0.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0086 0.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -0.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 -1.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9365 -0.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4632 0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7266 1.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5354 1.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0808 1.2570 0.0000 C 0 0 1 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 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 3 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 13 11 1 6 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 1 0 0 0 17 16 1 1 0 0 0 13 17 1 0 0 0 0 17 18 1 0 0 0 0 19 18 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 20 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 26 1 1 0 0 0 15 27 1 0 0 0 0 19 27 1 0 0 0 0 M END > NP0219006 > NP-MRD > COC1=CC=C2C(=C1)N(C)C(=O)[C@]21C[C@@H]2N[C@H]1C[C@@H]1[C@H]2COC=C1C(C)=O > InChI=1S/C21H24N2O4/c1-11(24)14-9-27-10-15-13(14)7-19-21(8-17(15)22-19)16-5-4-12(26-3)6-18(16)23(2)20(21)25/h4-6,9,13,15,17,19,22H,7-8,10H2,1-3H3/t13-,15+,17-,19-,21+/m0/s1 > SIRGNISPBNTBGI-ZVZUXSAKSA-N > C21H24N2O4 > 368.433 > 368.173607261 > 5 > 51 > 39.555401153750736 > 1 > 1 > 0 > 1 > (1'S,2'R,3R,7'R,9'S)-6'-acetyl-6-methoxy-1-methyl-1,2-dihydro-4'-oxa-12'-azaspiro[indole-3,10'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-2-one > 0.6218624913333333 > 0 > 5 > 1 > 19.217732979715763 > 10.118002282142289 > 67.87 > 99.7102 > 2 > 1 > (1'S,2'R,3R,7'R,9'S)-6'-acetyl-6-methoxy-1-methyl-4'-oxa-12'-azaspiro[indole-3,10'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-2-one > 0 > NP0219006 > (1's,2'r,3r,7'r,9's)-6'-acetyl-6-methoxy-1-methyl-4'-oxa-12'-azaspiro[indole-3,10'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2-one $$$$