60210727 -OEChem-05132401002D 101104 0 1 0 0 0 0 0999 V2000 19.4644 4.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5986 -5.0801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2321 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5981 4.5801 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -4.5801 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.4641 5.0801 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -5.5801 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.7320 5.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4641 6.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7320 6.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5981 6.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3301 5.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7320 4.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -3.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8661 5.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7472 4.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2320 3.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -3.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2320 3.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 -2.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7321 4.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7321 2.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 -2.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7321 2.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 -1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2321 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2320 -1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2321 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7320 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7321 2.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7321 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7320 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7321 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0747 5.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6762 6.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -6.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -6.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5200 6.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1215 5.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.9975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -4.6878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9966 7.0551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1995 7.0551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -5.4725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -6.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6401 5.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8671 5.8901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0201 6.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -6.5801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -6.5801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2571 4.4787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -3.1772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1761 6.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3292 5.8903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5560 5.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6396 5.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1366 4.7989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8548 4.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -3.0801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -3.0801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5421 2.6772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 -4.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2690 4.3901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4221 4.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1951 3.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 -1.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 -1.4451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6951 -2.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0421 1.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0420 -3.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4221 2.8850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 -1.4451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5421 0.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5420 -2.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2690 2.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4221 2.8850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1951 2.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7690 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9220 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6951 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0421 0.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0421 -1.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8397 1.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1494 0.8281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3397 0.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6494 -0.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 19 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 13 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 15 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 14 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 15 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 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 17 61 1 0 0 0 0 18 24 2 0 0 0 0 18 62 1 0 0 0 0 19 25 2 0 0 0 0 19 63 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 20 66 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 21 69 1 0 0 0 0 22 70 1 0 0 0 0 22 71 1 0 0 0 0 22 72 1 0 0 0 0 23 73 1 0 0 0 0 23 74 1 0 0 0 0 23 75 1 0 0 0 0 24 26 1 0 0 0 0 24 76 1 0 0 0 0 25 27 1 0 0 0 0 25 77 1 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 29 1 0 0 0 0 27 31 2 0 0 0 0 28 78 1 0 0 0 0 28 79 1 0 0 0 0 28 80 1 0 0 0 0 29 81 1 0 0 0 0 29 82 1 0 0 0 0 29 83 1 0 0 0 0 30 32 1 0 0 0 0 30 84 1 0 0 0 0 31 33 1 0 0 0 0 31 85 1 0 0 0 0 32 34 2 0 0 0 0 32 86 1 0 0 0 0 33 35 2 0 0 0 0 33 87 1 0 0 0 0 34 36 1 0 0 0 0 34 88 1 0 0 0 0 35 37 1 0 0 0 0 35 89 1 0 0 0 0 36 38 1 0 0 0 0 36 40 2 0 0 0 0 37 39 1 0 0 0 0 37 41 2 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 38 92 1 0 0 0 0 39 93 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 40 42 1 0 0 0 0 40 96 1 0 0 0 0 41 43 1 0 0 0 0 41 97 1 0 0 0 0 42 98 1 0 0 0 0 42 99 1 0 0 0 0 43100 1 0 0 0 0 43101 1 0 0 0 0 M END > 60210727 > 1 > 1180 > 3 > 0 > 12 > AAADcfB8MAAAAAAAAAAAAAAAEiQAAAAAAAAwYAAABIkAAAAAAAAAGgAAAAAADkSggAICAAAABACAAiBCAAAAAAAgAAAICAAAAAgIBAIAIQACEAAEwAAIoAOAwPAPgAAAAAAAAAAAAAYAADAAAAAAAAAAAA== > 1-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)nona-2,4,6,8-tetraenoxy]-3,7-dimethyl-nona-1,3,5,7-tetraenyl]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane > 1-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)nona-2,4,6,8-tetraenoxy]-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane > 1-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)nona-2,4,6,8-tetraenoxy]-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane > 1-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)nona-2,4,6,8-tetraenoxy]-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane > 1-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)nona-2,4,6,8-tetraenoxy]-3,7-dimethyl-nona-1,3,5,7-tetraenyl]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane > 1-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)nona-2,4,6,8-tetraenoxy]-3,7-dimethyl-nona-1,3,5,7-tetraenyl]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane > InChI=1S/C40H58O3/c1-31(19-27-39-35(5,6)23-13-25-37(39,9)42-39)15-11-17-33(3)21-29-41-30-22-34(4)18-12-16-32(2)20-28-40-36(7,8)24-14-26-38(40,10)43-40/h11-12,15-22,27-28H,13-14,23-26,29-30H2,1-10H3/b17-11+,18-12+,27-19+,28-20+,31-15+,32-16+,33-21+,34-22+ > USPNINRNZNTZPI-KSZOLTODSA-N > 10.6 > 586.43859571 > C40H58O3 > 586.9 > CC(=CCOCC=C(C)C=CC=C(C)C=CC12C(CCCC1(O2)C)(C)C)C=CC=C(C)C=CC34C(CCCC3(O4)C)(C)C > C/C(=C\COC/C=C(/C=C/C=C(/C=C/C12OC1(CCCC2(C)C)C)\C)\C)/C=C/C=C(/C=C/C34OC3(CCCC4(C)C)C)\C > 34.3 > 586.43859571 > 0 > 43 > 0 > 4 > 8 > 0 > 0 > 1 > -1 > 1 5 255 > 4 18 3 5 19 3 6 16 3 7 17 3 $$$$