Mrv1652304282221212D 32 37 0 0 1 0 999 V2000 0.6564 -1.0270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0108 -1.0264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6083 -1.1495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3448 -0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2638 0.3484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3864 0.3404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0942 -0.0351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8888 0.5185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5896 1.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5341 0.6359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9425 -0.1538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4107 -0.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 -0.7502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4822 0.0658 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0347 0.8560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2599 1.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6784 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2733 3.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 2.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6316 -1.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8368 -0.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2466 -0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3445 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7844 -0.4896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6710 0.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8572 -0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0182 -1.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7934 -1.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2884 -0.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2168 1.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7885 -2.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4615 -3.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 6 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 1 13 1 0 0 0 0 13 14 1 0 0 0 0 14 8 1 1 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 13 20 1 6 0 0 0 11 21 1 6 0 0 0 21 22 1 0 0 0 0 8 23 1 6 0 0 0 7 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 5 26 1 0 0 0 0 24 27 1 6 0 0 0 27 28 1 0 0 0 0 6 29 1 6 0 0 0 1 29 1 6 0 0 0 5 30 1 6 0 0 0 3 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > NP0074182 > NP-MRD > CCN1C[C@@]2(C)CC[C@@H](OC)[C@]34[C@H]2C[C@H]([C@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@@]4(O)[C@H]1[C@@H]2OC(C)=O > InChI=1S/C25H39NO6/c1-6-26-12-22(3)8-7-18(31-5)25-17(22)9-15(21(25)26)23(28)11-16(30-4)14-10-24(25,29)20(23)19(14)32-13(2)27/h14-21,28-29H,6-12H2,1-5H3/t14-,15+,16+,17-,18+,19+,20-,21-,22+,23+,24+,25+/m0/s1 > NETXKASDOZAODV-AWAMWYPOSA-N > C25H39NO6 > 449.588 > 449.27773798 > 6 > 71 > 49.18981614153467 > 1 > 2 > 0 > 0 > (1S,2R,3S,4R,5S,6R,8R,9R,10S,13S,16R,17S)-11-ethyl-2,8-dihydroxy-6,16-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl acetate > 1.28 > -0.08954945833333335 > -2.59 > 0 > 6 > 1 > 14.358287280808298 > 13.63789486119488 > 9.840159261801281 > 88.46000000000001 > 116.8303 > 5 > 1 > 1.15e+00 g/l > (1S,2R,3S,4R,5S,6R,8R,9R,10S,13S,16R,17S)-11-ethyl-2,8-dihydroxy-6,16-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl acetate > 0 > NP0074182 > 14-Acetylgenicunine B $$$$