Mol:LBG00kkc:R:18109SC01:CBZ1Sk013
53 56 0 0 0 0 0 0 0 0999 V2000 -3.7091 2.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1803 4.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7523 3.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 3.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4695 4.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 4.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7523 4.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9284 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9284 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9284 -1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1034 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2115 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2115 1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9284 1.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6453 1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6453 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6941 -1.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1266 -1.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5382 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1266 -0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6941 -0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 -2.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9284 -3.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2198 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2198 -2.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8904 2.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8904 1.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0655 1.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0655 0.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2405 0.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2405 -0.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4156 -0.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4156 -0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4093 -0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4093 -1.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2343 -1.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2343 -2.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0592 -2.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0592 -3.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8841 -3.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8841 -4.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7091 -4.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7091 -5.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 -5.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7091 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5340 -0.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7091 4.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8841 4.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8841 5.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0592 5.0463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -0.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -1.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 2 7 1 0 8 9 1 0 8 10 1 0 8 11 1 0 9 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 9 16 1 0 11 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 11 21 1 0 10 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 10 26 1 0 1 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 1 46 1 0 8 47 1 0 46 47 1 0 1 48 1 0 2 51 1 0 48 49 1 0 49 50 1 0 50 51 1 0 19 52 1 0 52 53 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 M SAL 1 4 42 43 44 45 M SBL 1 1 28 M SMT 1 O(CH2)8CH=CH(CH2)7CH3 M SBV 1 28 -0.8187 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 46 47 M SBL 2 2 47 48 M SMT 2 CH2O M SBV 2 47 0.0000 3.2394 M SBV 2 48 2.6056 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 48 49 50 51 M SBL 3 2 50 51 M SMT 3 CH2OCO M SBV 3 50 0.0000 -1.8432 M SBV 3 51 0.8789 -0.8249 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 52 53 M SBL 4 1 55 M SMT 4 OCH3 M SBV 4 55 -0.8248 0.0000 S SKP 5 ID LBG00kkc:R:18109SC01:CBZ1Sk013:01 FORMULA C48H64O5 EXACTMASS 720.4753751579999 AVERAGEMASS 721.0187599999999 SMILES CCCCCCCCC=CCCCCCCCCOC(COC(c(c4)ccc(OC)c4)(c(c3)cccc3)c(c2)cccc2)COCOc(c1)cccc1 M END
