Mrv2104 12212312002D 35 37 0 0 1 0 999 V2000 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3819 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -2.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 -0.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -1.7224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7376 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3507 -2.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1353 -1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7484 -2.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3068 -0.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5363 -2.3058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -2.5070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1830 -3.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1526 -3.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 -4.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0032 -5.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4817 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1528 -4.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6377 -5.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4582 -5.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9431 -5.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 -3.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0034 -3.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 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 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 9 12 2 0 0 0 0 3 12 1 0 0 0 0 13 2 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 1 6 0 0 0 13 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 17 23 1 1 0 0 0 17 24 1 0 0 0 0 24 15 1 0 0 0 0 24 25 1 1 0 0 0 25 26 2 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 27 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 30 34 1 0 0 0 0 34 35 2 0 0 0 0 25 35 1 0 0 0 0 M END > NP0332265 > NP-MRD > [H][C@@]1(CO[C@@H](C2=CC(OC)=C(OCC)C=C2)[C@]1([H])COC(C)=O)[C@H](O)C1=CC=C(OC)C(OC)=C1 > InChI=1S/C25H32O8/c1-6-31-21-10-8-17(12-23(21)30-5)25-19(14-32-15(2)26)18(13-33-25)24(27)16-7-9-20(28-3)22(11-16)29-4/h7-12,18-19,24-25,27H,6,13-14H2,1-5H3/t18-,19+,24+,25-/m0/s1 > AYXXOFWTSSWURZ-MKTUGGFXSA-N > C25H32O8 > 460.523 > 460.20971799 > 7 > 65 > 49.82788824528382 > 1 > 1 > 0 > 1 > [(2R,3S,4R)-4-[(S)-(3,4-dimethoxyphenyl)(hydroxy)methyl]-2-(4-ethoxy-3-methoxyphenyl)oxolan-3-yl]methyl acetate > 2.2057774519999995 > 1 > 3 > 0 > 14.092153986427666 > -3.1958918463365387 > 92.68 > 121.475 > 11 > 1 > [(2R,3S,4R)-4-[(S)-(3,4-dimethoxyphenyl)(hydroxy)methyl]-2-(4-ethoxy-3-methoxyphenyl)oxolan-3-yl]methyl acetate > 0 > NP0332265 > Compound 6 $$$$