Mol:LBG00kck:18109SC01:CBZ1Sk013:R
54 57 0 0 0 0 0 0 0 0999 V2000 1.5523 -2.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5523 -0.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2307 -5.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2021 -4.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2021 -5.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -3.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -2.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2021 -2.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 -2.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 -3.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6295 -5.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 -5.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8722 -5.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4935 -6.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4935 -7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2021 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 -7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 -6.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8394 -2.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -1.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0821 -1.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4935 -2.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0821 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5523 -5.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7273 -5.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7273 -5.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6971 -5.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6971 -5.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7273 -1.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 -0.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7273 -2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5523 0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7273 0.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7273 0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7475 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7475 3.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5724 3.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5724 4.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3973 4.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3973 5.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2223 5.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2223 5.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0472 5.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0472 6.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8721 6.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8721 7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6971 7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 4 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 4 10 1 0 3 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 3 15 1 0 5 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 5 20 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 21 26 1 0 1 27 1 0 3 29 1 0 4 29 1 0 5 29 1 0 27 28 1 0 28 29 1 0 13 30 1 0 30 31 1 0 1 34 1 0 21 32 1 0 32 33 2 0 32 34 1 0 1 35 1 0 35 36 1 0 36 37 1 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 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 27 28 29 M SBL 1 4 26 27 28 29 M SMT 1 CH2-O-C M SBV 1 26 0.0000 2.9485 M SBV 1 27 3.5033 0.8249 M SBV 1 28 2.4748 1.6499 M SBV 1 29 2.4748 -0.0001 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 30 31 M SBL 2 1 32 M SMT 2 OCH3 M SBV 2 32 -0.8248 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 32 33 34 M SBL 3 2 34 35 M SMT 3 ^OOC M SBV 3 34 0.8250 0.0000 M SBV 3 35 -1.5667 -0.8249 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 15 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 M SAL 4 5 50 51 52 53 54 M SBL 4 1 38 M SMT 4 CH2O(CH2)8CH=CH(CH2)7CH3 M SBV 4 38 0.0000 -2.1631 S SKP 5 ID LBG00kck:18109SC01:CBZ1Sk013:R:01 FORMULA C49H64O5 EXACTMASS 732.4753751579999 AVERAGEMASS 733.02946 SMILES CCCCCCCCC=CCCCCCCCCOCC(OC(c(c4)cccc4)=O)(COC(c(c3)cccc3)(c(c2)cccc2)c(c1)ccc(c1)OC)C M END
