Mrv1652309032200232D 30 35 0 0 1 0 999 V2000 3.1655 -3.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 -2.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8657 -2.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0298 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5513 -1.2780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8941 -0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7153 -0.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4156 0.1445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6750 0.2858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9398 -0.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4387 0.5763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3264 1.2932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1588 1.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9793 1.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4645 2.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 2.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6201 1.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4406 1.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9258 2.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5907 3.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7702 3.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 3.5865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9183 3.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7464 2.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 0.8274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5125 0.8096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7801 1.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0581 1.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5635 1.3619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8985 1.4307 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 2 4 1 0 0 0 0 5 4 1 4 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 11 10 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 16 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 19 24 1 0 0 0 0 25 12 1 6 0 0 0 25 26 1 0 0 0 0 8 26 1 0 0 0 0 26 27 1 6 0 0 0 27 28 2 0 0 0 0 29 28 1 6 0 0 0 9 29 1 0 0 0 0 29 30 1 0 0 0 0 30 11 1 6 0 0 0 25 30 1 0 0 0 0 M END > NP0163682 > NP-MRD > CC(C)CN=C(O)[C@@H]1[C@H]2C[C@H]3[C@H](CCCC4=CC=C5OCOC5=C4)[C@@H]4[C@H]3[C@@H]2C=C[C@H]14 > InChI=1S/C26H33NO3/c1-14(2)12-27-26(28)25-18-8-7-17-20(25)11-19-16(23(18)24(17)19)5-3-4-15-6-9-21-22(10-15)30-13-29-21/h6-10,14,16-20,23-25H,3-5,11-13H2,1-2H3,(H,27,28)/t16-,17+,18-,19-,20-,23-,24-,25-/m0/s1 > MZNYKIXDEPFZJF-VOMQUASUSA-N > C26H33NO3 > 407.554 > 407.246043927 > 4 > 63 > 32.395969422076426 > 1 > 1 > 0 > 1 > (1R,2R,3R,4S,5S,7S,8R,9S)-4-[3-(2H-1,3-benzodioxol-5-yl)propyl]-N-(2-methylpropyl)tetracyclo[5.4.0.0^{2,5}.0^{3,9}]undec-10-ene-8-carboximidic acid > 3.59 > 4.420663851608147 > -6.37 > 1 > 6 > 0 > 4.278560438700675 > 6.5531059215069964 > 51.05000000000001 > 117.44479999999999 > 7 > 1 > 1.72e-04 g/l > (1R,2R,3R,4S,5S,7S,8R,9S)-4-[3-(2H-1,3-benzodioxol-5-yl)propyl]-N-(2-methylpropyl)tetracyclo[5.4.0.0^{2,5}.0^{3,9}]undec-10-ene-8-carboximidic acid > 0 > NP0163682 > (1r,2r,3r,4s,5s,7s,8r,9s)-4-[3-(2h-1,3-benzodioxol-5-yl)propyl]-n-(2-methylpropyl)tetracyclo[5.4.0.0²,⁵.0³,⁹]undec-10-ene-8-carboximidic acid $$$$