Mrv1533004231520062D 58 60 0 0 0 0 999 V2000 -3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 -9.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -13.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -14.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 18 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 27 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 33 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 38 43 1 0 0 0 0 25 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 23 48 1 0 0 0 0 10 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 6 53 1 0 0 0 0 53 54 2 0 0 0 0 3 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 M END > NP0211005 > NP-MRD > COC1=CC=C(CCOC2OC(COC(C)=O)C(OC(C)=O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C2OC(C)=O)C=C1OC(C)=O > InChI=1S/C37H48O21/c1-17(38)48-15-28-31(52-21(5)42)33(34(54-23(7)44)36(56-28)47-13-12-25-10-11-26(46-9)27(14-25)50-19(3)40)58-37-35(55-24(8)45)32(53-22(6)43)30(51-20(4)41)29(57-37)16-49-18(2)39/h10-11,14,28-37H,12-13,15-16H2,1-9H3 > RGYKXVDDEDXCHM-UHFFFAOYSA-N > C37H48O21 > 828.77 > 828.268808566 > 13 > 106 > 81.02149397497303 > 0 > 0 > 0 > 0 > [3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate > 2.01 > 0.49035354333333203 > -3.98 > 1 > 3 > 0 > -3.7452986151883514 > 256.54999999999995 > 184.1116 > 25 > 0 > 8.67e-02 g/l > [3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate > 0 > NP0211005 > [3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate $$$$