Mrv1652304282215362D 24 28 0 0 1 0 999 V2000 5.0604 0.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9768 1.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2242 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5552 1.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6388 0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3914 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9698 0.2719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2172 0.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5482 0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1336 1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 1.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 2.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 3.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2974 2.5893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3810 1.7686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7120 1.2858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0406 1.6237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1242 2.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5448 2.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 0.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8613 1.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2778 3.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5072 3.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0534 -0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 4 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 10 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 14 19 1 6 0 0 0 17 20 1 0 0 0 0 16 20 1 6 0 0 0 17 21 1 1 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 7 24 1 0 0 0 0 M END > NP0068428 > NP-MRD > CN1C(=O)C2=C(OC(C)(C)[C@H]3CC[C@@]4(C)O[C@H]4[C@H]23)C2=CC=CC=C12 > InChI=1S/C20H23NO3/c1-19(2)12-9-10-20(3)17(24-20)14(12)15-16(23-19)11-7-5-6-8-13(11)21(4)18(15)22/h5-8,12,14,17H,9-10H2,1-4H3/t12-,14-,17-,20+/m0/s1 > GOAAZKVSWQLRQQ-HDDHGUNASA-N > C20H23NO3 > 325.408 > 325.167793605 > 3 > 47 > 36.33369989665436 > 1 > 0 > 0 > 1 > (2S,3S,5R,8S)-5,9,9,18-tetramethyl-4,10-dioxa-18-azapentacyclo[9.8.0.0^{2,8}.0^{3,5}.0^{12,17}]nonadeca-1(11),12,14,16-tetraen-19-one > 3.11 > 2.020242051666667 > -3.47 > 0 > 5 > 0 > 19.641125323211483 > -0.10904797885177098 > 42.07 > 91.82420000000002 > 0 > 1 > 1.09e-01 g/l > (2S,3S,5R,8S)-5,9,9,18-tetramethyl-4,10-dioxa-18-azapentacyclo[9.8.0.0^{2,8}.0^{3,5}.0^{12,17}]nonadeca-1(11),12,14,16-tetraen-19-one > 0 > NP0068428 > (+)-trans-Deacetoxyerioaustralasine $$$$