Mrv1572004191603142D 78 78 0 0 1 0 999 V2000 2.5733 13.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5816 -3.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7188 9.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4174 12.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0536 -2.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3978 8.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6378 12.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8756 -2.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8956 7.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4819 11.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3475 -2.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7142 8.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7023 11.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1695 -2.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2119 7.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5464 10.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6415 -1.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0306 7.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2331 10.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4634 -1.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5283 6.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 9.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9354 -0.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3470 6.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1686 9.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7574 -0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8447 6.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3245 8.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2293 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5238 5.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7008 8.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8793 0.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7051 5.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0787 8.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3512 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2074 6.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7023 7.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0012 1.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3887 5.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4819 8.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4731 2.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8910 6.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1055 7.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1231 3.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0723 6.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8851 7.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5950 3.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5746 7.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5087 7.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2449 4.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7560 7.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8474 8.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0048 5.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 7.2584 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5448 6.1990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2883 7.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7169 5.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2582 7.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3151 6.7183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1186 6.9054 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6269 8.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4442 8.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5389 5.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 8.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2447 5.8963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9119 6.9883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3668 6.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4396 7.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7922 9.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1074 -1.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6634 6.4060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 8.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0513 -0.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0215 4.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4710 7.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9807 6.8995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5508 6.4078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7977 6.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 21 1 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 28 25 2 0 0 0 0 29 26 2 0 0 0 0 30 27 2 0 0 0 0 31 28 1 0 0 0 0 32 29 1 0 0 0 0 33 30 1 0 0 0 0 34 31 1 0 0 0 0 35 32 1 0 0 0 0 36 33 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 45 42 1 0 0 0 0 46 43 1 0 0 0 0 47 44 1 0 0 0 0 48 45 1 0 0 0 0 49 46 1 0 0 0 0 50 47 1 0 0 0 0 51 48 1 0 0 0 0 54 52 1 0 0 0 0 55 53 1 0 0 0 0 56 49 1 0 0 0 0 57 50 1 0 0 0 0 58 51 1 0 0 0 0 59 54 1 6 0 0 0 60 55 1 0 0 0 0 60 59 1 0 0 0 0 61 52 1 0 0 0 0 62 56 2 0 0 0 0 63 57 2 0 0 0 0 64 58 2 0 0 0 0 65 53 1 0 0 0 0 65 59 1 0 0 0 0 54 66 1 1 0 0 0 66 56 1 0 0 0 0 55 67 1 1 0 0 0 67 57 1 0 0 0 0 68 58 1 0 0 0 0 60 68 1 1 0 0 0 69 25 1 0 0 0 0 70 26 1 0 0 0 0 71 27 1 0 0 0 0 72 28 1 0 0 0 0 73 29 1 0 0 0 0 74 30 1 0 0 0 0 54 75 1 1 0 0 0 55 76 1 6 0 0 0 59 77 1 1 0 0 0 60 78 1 1 0 0 0 M END > CHEM011355 > chemdb > [H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(CO)[C@@]1([H])OC[C@]([H])(OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)[C@@]1([H])OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC > InChI=1S/C60H108O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)66-54(52-61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-65-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54-55,59-61H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/t54-,55+,59-,60-/m1/s1 > SSIXEULIHSQFFO-PDKVEDEMSA-N > C60H108O8 > 957.516 > 956.804420438 > 5 > 176 > 123.88244609746292 > 0 > 1 > 0 > 0 > (1R)-1-[(2R,3R,4S)-3,4-bis[(9Z)-octadec-9-enoyloxy]oxolan-2-yl]-2-hydroxyethyl (9Z)-octadec-9-enoate > 10.30 > 19.776493450666667 > -7.89 > 0 > 1 > 0 > 14.564579433466601 > -2.9892529558017085 > 108.36000000000001 > 286.6235 > 53 > 0 > 1.24e-05 g/l > (1R)-1-[(2R,3R,4S)-3,4-bis[(9Z)-octadec-9-enoyloxy]oxolan-2-yl]-2-hydroxyethyl (9Z)-octadec-9-enoate > 0 > Sorbitan, tri-(9Z)-9-octadecenoate > 26266-58-0 > anhydro-D-glucitol trioleate $$$$