Mrv1652307282022262D 70 75 0 0 1 0 999 V2000 -0.1047 -2.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2986 -0.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5181 4.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1078 -2.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7126 3.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9457 4.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4099 -1.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9470 1.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0694 -1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5312 -0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 -0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0367 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7485 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9325 -1.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3203 2.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6241 2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 -0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5948 0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6867 0.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1251 -0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.8242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5534 3.8009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2291 -1.2815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2616 -0.5922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6621 -1.2058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2910 0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6295 -0.3495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9587 0.1752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1426 0.2965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8566 -0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8919 0.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2849 3.4194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7681 1.2670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0897 -1.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 2.5340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1958 1.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9965 -0.9786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1178 -0.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4718 0.3505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7044 0.0476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9811 3.8622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7859 -1.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2311 2.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6425 -1.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5931 1.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8852 0.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1427 3.3582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5831 -0.7684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3582 -1.6485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 0.5607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8035 2.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1604 0.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1781 4.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8752 -1.7946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4456 -0.4709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -0.7630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3694 1.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0518 -0.9384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7376 0.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3184 0.3318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5085 -0.8092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2496 4.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4996 1.6485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 1.7097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7638 -0.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3504 -0.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2391 0.6535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8257 0.8636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 16 15 1 0 0 0 0 18 17 1 0 0 0 0 23 3 1 6 0 0 0 24 4 1 1 0 0 0 25 5 1 6 0 0 0 26 15 1 0 0 0 0 26 19 1 0 0 0 0 27 10 1 1 0 0 0 27 13 1 0 0 0 0 28 19 1 0 0 0 0 28 20 1 0 0 0 0 29 16 1 0 0 0 0 30 20 1 0 0 0 0 30 26 1 0 0 0 0 31 21 1 0 0 0 0 31 29 1 0 0 0 0 31 30 1 0 0 0 0 32 22 1 0 0 0 0 32 29 1 0 0 0 0 33 21 2 0 0 0 0 33 32 1 0 0 0 0 34 17 1 0 0 0 0 34 24 1 0 0 0 0 35 14 1 0 0 0 0 35 23 1 0 0 0 0 36 22 1 0 0 0 0 37 18 1 0 0 0 0 38 23 1 0 0 0 0 38 33 1 0 0 0 0 39 25 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 6 1 0 0 0 0 43 7 1 0 0 0 0 34 43 1 6 0 0 0 44 36 2 0 0 0 0 45 38 2 0 0 0 0 46 8 1 0 0 0 0 39 46 1 1 0 0 0 47 9 1 0 0 0 0 41 47 1 6 0 0 0 48 11 1 0 0 0 0 40 48 1 1 0 0 0 49 24 1 0 0 0 0 49 37 1 0 0 0 0 50 25 1 0 0 0 0 50 42 1 0 0 0 0 51 27 1 0 0 0 0 51 36 1 0 0 0 0 52 28 1 0 0 0 0 42 52 1 1 0 0 0 35 53 1 6 0 0 0 37 53 1 1 0 0 0 23 54 1 1 0 0 0 24 55 1 6 0 0 0 25 56 1 1 0 0 0 26 57 1 6 0 0 0 27 58 1 6 0 0 0 59 28 1 0 0 0 0 29 60 1 6 0 0 0 30 61 1 1 0 0 0 31 62 1 6 0 0 0 63 32 1 0 0 0 0 34 64 1 1 0 0 0 35 65 1 1 0 0 0 37 66 1 6 0 0 0 39 67 1 6 0 0 0 40 68 1 1 0 0 0 41 69 1 1 0 0 0 42 70 1 6 0 0 0 M END > CDB006305 > CDB > [H]C1(C[C@@]2([H])CC[C@@]3([H])C4([H])CC(=O)O[C@@]([H])(CC)CCC[C@]([H])(O[C@@]5([H])CC[C@]([H])(N(C)C)[C@@]([H])(C)O5)[C@@]([H])(C)C(=O)C4=C[C@@]3([H])[C@]2([H])C1)O[C@]1([H])O[C@@]([H])(C)[C@]([H])(OC)[C@@]([H])(OCC)[C@@]1([H])OC > InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1 > GOENIMGKWNZVDA-OAMCMWGQSA-N > C42H69NO10 > 748.011 > 747.492147426 > 10 > 122 > 86.36845520547001 > 0 > 0 > 0 > 0 > (3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-{[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione > 4.63 > 6.318808221999998 > -5.60 > 1 > 6 > 1 > 19.449266546407788 > 8.561483449594144 > 111.22000000000003 > 201.21320000000003 > 10 > 0 > 1.87e-03 g/l > (3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-{[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,9H,10H,11H,12H,13H,14H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione > 0 > CDB006305 > Spinetoram $$$$