Mrv1652306031606072D 68 73 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 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 -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 10.0065 0.9565 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 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 2 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 1 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 9.8852 0.1404 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 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 9 1 1 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 14 13 2 0 0 0 0 16 15 1 0 0 0 0 21 2 1 6 0 0 0 22 3 1 1 0 0 0 23 4 1 6 0 0 0 24 13 1 0 0 0 0 24 17 1 0 0 0 0 25 9 1 1 0 0 0 25 11 1 0 0 0 0 26 17 1 0 0 0 0 26 18 1 0 0 0 0 27 14 1 0 0 0 0 28 18 1 0 0 0 0 28 24 1 0 0 0 0 29 19 1 0 0 0 0 29 27 1 0 0 0 0 29 28 1 0 0 0 0 30 20 1 0 0 0 0 30 27 1 0 0 0 0 31 19 2 0 0 0 0 31 30 1 0 0 0 0 32 15 1 0 0 0 0 32 22 1 0 0 0 0 33 12 1 0 0 0 0 33 21 1 0 0 0 0 34 20 1 0 0 0 0 35 16 1 0 0 0 0 36 21 1 0 0 0 0 36 31 1 0 0 0 0 37 23 1 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 41 5 1 0 0 0 0 32 41 1 6 0 0 0 42 34 2 0 0 0 0 43 36 2 0 0 0 0 44 6 1 0 0 0 0 37 44 1 1 0 0 0 45 7 1 0 0 0 0 38 45 1 1 0 0 0 46 8 1 0 0 0 0 39 46 1 6 0 0 0 47 22 1 0 0 0 0 47 35 1 0 0 0 0 48 23 1 0 0 0 0 48 40 1 0 0 0 0 49 25 1 0 0 0 0 49 34 1 0 0 0 0 26 50 1 6 0 0 0 40 50 1 1 0 0 0 33 51 1 6 0 0 0 35 51 1 1 0 0 0 21 52 1 1 0 0 0 22 53 1 6 0 0 0 23 54 1 1 0 0 0 24 55 1 6 0 0 0 25 56 1 6 0 0 0 26 57 1 1 0 0 0 27 58 1 6 0 0 0 28 59 1 1 0 0 0 29 60 1 6 0 0 0 30 61 1 1 0 0 0 32 62 1 1 0 0 0 33 63 1 1 0 0 0 35 64 1 6 0 0 0 37 65 1 6 0 0 0 38 66 1 1 0 0 0 39 67 1 1 0 0 0 40 68 1 6 0 0 0 M END > CHEM042726 > chemdb > [H][C@]1(C[C@@]2([H])C=C[C@@]3([H])[C@]4([H])CC(=O)O[C@@]([H])(CC)CCC[C@]([H])(O[C@@]5([H])CC[C@]([H])(NC)[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])(OC)[C@@]1([H])OC > InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41-5)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-39(46-8)38(45-7)37(44-6)23(4)48-40/h13-14,19,21-30,32-33,35,37-41H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30+,32+,33+,35+,37+,38-,39-,40+/m1/s1 > VESRDXZDAAOUHS-KXRJSVEISA-N > C40H63NO10 > 717.941 > 717.445197233 > 10 > 114 > 82.2727175781328 > 0 > 1 > 0 > 0 > (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-14-methyl-13-{[(2R,5S,6R)-6-methyl-5-(methylamino)oxan-2-yl]oxy}-2-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione > 3.47 > 5.217030673333334 > -5.72 > 1 > 6 > 1 > 19.448187698458785 > 9.89056299308845 > 120.01000000000003 > 192.28650000000002 > 9 > 0 > 1.36e-03 g/l > spinosyn B > 0 > Spinosad (Spinosyn B) > 131929-61-8 $$$$