LMST01031368 LIPID_MAPS_STRUCTURE_DATABASE 52 55 0 0 0 999 V2000 4.3892 -5.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 -5.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 -7.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3892 -7.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 -7.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 -5.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 -5.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0258 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0258 -7.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 -7.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1469 -4.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0257 -3.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9047 -4.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9047 -5.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7836 -3.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6625 -4.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6626 -5.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -7.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 -4.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9047 -3.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7836 -2.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6624 -2.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9046 -2.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5413 -2.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4201 -2.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2991 -2.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1779 -2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2991 -3.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0568 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1780 -4.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4201 -1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 -6.1905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8924 -6.1105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4074 -3.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 -5.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8066 -7.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9386 -7.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0703 -7.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7981 -7.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6664 -7.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5348 -7.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4031 -7.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2715 -7.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1398 -7.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0081 -7.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8765 -7.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7448 -7.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6132 -7.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4815 -7.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3499 -7.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2182 -7.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8021 -6.0469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 3 2 0 0 0 7 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 8 1 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 5 18 1 1 0 0 2 19 1 1 0 0 13 20 1 1 0 0 14 17 1 0 0 0 15 21 1 0 0 0 21 22 1 0 0 0 21 23 1 6 0 0 22 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 28 30 1 0 0 0 25 31 2 0 0 0 7 32 1 6 0 0 14 33 1 6 0 0 15 34 1 6 0 0 8 35 1 1 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 18 36 1 0 0 0 0 36 52 2 0 0 0 M END > LMST01031368 > Xestosteryl palmitate > 24-methylene-26,27-dimethyl-cholest-5-en-3beta-yl hexadecanoate > C46H80O2 > 664.62 > Sterol Lipids [ST] > Sterols [ST01] > Ergosterols and C24-methyl derivatives [ST0103] > - > Xestosterol palmitate > AMCUFXUZRAFRCK-CUPOWPQWSA-N > InChI=1S/C46H80O2/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)36(5)25-24-35(4)37(9-2)10-3/h26,36-37,39-43H,4,8-25,27-34H2,1-3,5-7H3/t36-,39+,40+,41-,42+,43+,45+,46-/m1/s1 > C1C[C@H](OC(=O)CCCCCCCCCCCCCCC)CC2=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=C)C(CC)CC)[C@@]4(C)CC[C@]3([H])[C@@]12C > - > - > - > - > - > - > 163107184 > - > - > - > - > - > 178554 > 38600838 $$$$