73240475 -OEChem-05112410482D 88 88 0 1 0 0 0 0 0999 V2000 9.6921 -0.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0723 1.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9850 -0.8960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2970 0.7418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3843 2.6043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7112 2.1560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6921 0.8111 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6921 0.8111 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3992 1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9850 1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3652 1.2594 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6921 -0.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0191 1.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6240 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 1.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5899 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8487 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3461 1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8147 -1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 2.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0382 1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7453 2.4148 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0735 -2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4865 3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0394 -2.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5206 3.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 2.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2982 -3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2617 4.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8135 2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2641 -3.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4183 2.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5230 -4.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1193 0.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2649 0.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6613 2.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8914 1.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4929 1.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7230 2.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9640 1.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5112 0.9038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2811 0.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0063 0.2395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5699 -0.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8199 2.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 2.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2075 0.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6439 0.6523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2311 -0.9853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7947 -1.5489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 1.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6081 1.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4323 -1.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8687 -0.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1468 2.7704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3769 2.9767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9058 1.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4558 -2.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0194 -2.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 1.8004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9351 1.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1041 3.4348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5405 3.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6570 -2.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0934 -1.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9217 3.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6806 -3.4348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2442 -3.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4738 3.2187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 3.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8717 1.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8606 4.7660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1013 5.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6629 4.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3750 3.3709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3750 2.4940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2519 2.4940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8818 -3.5855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3182 -3.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 3.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 2.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 2.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2579 3.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9241 -4.7660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6834 -5.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1218 -4.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 21 1 0 0 0 0 3 12 2 0 0 0 0 4 21 2 0 0 0 0 5 34 2 0 0 0 0 6 22 1 0 0 0 0 6 34 1 0 0 0 0 6 73 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 13 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 14 1 0 0 0 0 11 42 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 16 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 18 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 23 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 24 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 22 25 1 0 0 0 0 22 59 1 0 0 0 0 23 26 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 28 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 27 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 29 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 27 68 1 0 0 0 0 28 33 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 32 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 35 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 85 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 M END > 73240475 > 1 > 579 > 5 > 1 > 23 > AAADcfB6OAAAAAAAAAAAAAAAAABIAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADTzhgAYCCALABAAIAACQmAAAAAAAAAAAAIGIAAACABYAgCAHAAAFNgAQAAGI7OzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 1-[(3-octyl-4-oxo-oxetan-2-yl)methyl]decyl 2-formamido-4-methyl-pentanoate > 2-formamido-4-methylpentanoic acid 1-(3-octyl-4-oxo-2-oxetanyl)undecan-2-yl ester > 1-(3-octyl-4-oxooxetan-2-yl)undecan-2-yl 2-formamido-4-methylpentanoate > 1-(3-octyl-4-oxooxetan-2-yl)undecan-2-yl 2-formamido-4-methylpentanoate > 1-(3-octyl-4-oxidanylidene-oxetan-2-yl)undecan-2-yl 2-formamido-4-methyl-pentanoate > 2-formamido-4-methyl-valeric acid 1-[(4-keto-3-octyl-oxetan-2-yl)methyl]decyl ester > InChI=1S/C29H53NO5/c1-5-7-9-11-13-14-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-15-12-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31) > UAAQNVPRPAOIGO-UHFFFAOYSA-N > 10 > 495.39237379 > C29H53NO5 > 495.7 > CCCCCCCCCC(CC1C(C(=O)O1)CCCCCCCC)OC(=O)C(CC(C)C)NC=O > CCCCCCCCCC(CC1C(C(=O)O1)CCCCCCCC)OC(=O)C(CC(C)C)NC=O > 81.7 > 495.39237379 > 0 > 35 > 0 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 14 3 22 25 3 7 10 3 8 9 3 $$$$