20353 -OEChem-04262402102D 92 93 0 1 0 0 0 0 0999 V2000 10.3591 -2.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 -2.2751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2651 -2.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7685 -1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2718 -0.5546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7685 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3591 -0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2718 -0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7618 -3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7751 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7751 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2785 1.1659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7751 0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2784 1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7818 2.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7818 2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7818 2.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2851 2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2851 2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7885 3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1551 -2.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8469 -2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8760 -1.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4742 -0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8785 -0.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1867 -1.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5839 -0.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6585 -2.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3503 -1.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7527 -0.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9545 -0.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1618 -1.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8536 -0.7728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2237 -3.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0697 -3.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2999 -2.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8851 0.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1933 0.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6651 -0.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3569 0.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5905 1.7016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3133 0.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4672 0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2370 0.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1684 0.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8602 0.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8918 2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2000 2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3199 2.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4739 2.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2437 1.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6718 1.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3636 1.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5930 2.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 -2.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 -3.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2827 2.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9051 2.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2875 3.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3266 4.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4805 4.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2503 3.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.7292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.7292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 16 1 0 0 0 0 2 26 1 0 0 0 0 2 35 1 0 0 0 0 3 35 2 0 0 0 0 4 38 1 0 0 0 0 4 92 1 0 0 0 0 5 38 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 6 0 0 0 7 9 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 12 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 11 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 6 0 0 0 10 45 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 15 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 17 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 19 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 23 1 0 0 0 0 19 27 1 6 0 0 0 19 59 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 26 2 0 0 0 0 21 29 1 0 0 0 0 22 24 2 0 0 0 0 22 30 1 0 0 0 0 23 25 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 26 1 0 0 0 0 24 32 1 0 0 0 0 25 28 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 31 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 31 78 1 0 0 0 0 32 79 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 34 86 1 0 0 0 0 34 87 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 88 1 0 0 0 0 36 89 1 0 0 0 0 37 38 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 M END > 20353 > 1 > 720 > 5 > 1 > 17 > AAADcfB8OAAAAAAAAAAAAAAAAAAAAAAAAAA0QAAAAAAAAACRAAAAGgAACAAADUSAmAACDoAABgCIAgDQCAACCAAgIAAAiAEECIgMJjKEMBqCeiCkwBEIqAfDwPAOwQADAAAYAACCAAYAADAAAAAAAAAAAA== > 4-oxo-4-[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl]oxy-butanoic acid > 4-oxo-4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl]oxy]butanoic acid > 4-oxo-4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]butanoic acid > 4-oxo-4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]butanoic acid > 4-oxidanylidene-4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]butanoic acid > 4-keto-4-[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl]oxy-butyric acid > InChI=1S/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)/t23-,24-,33-/m1/s1 > IELOKBJPULMYRW-NJQVLOCASA-N > 10.2 > 530.39712482 > C33H54O5 > 530.8 > CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)CCC(=O)O)C > CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)CCC(=O)O)C > 72.8 > 530.39712482 > 0 > 38 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 20 6 15 16 8 15 21 8 16 22 8 19 27 6 21 26 8 22 24 8 24 26 8 6 14 6 $$$$