Molecular FormulaC47H40O8
Molecular Weight732.8157
InChIInChI=1S/C47H40O8/c48-42(35-15-5-1-6-16-35)52-30-46(31-53-43(49)36-17-7-2-8-18-36)27-39-25-13-23-34-24-14-26-40(41(34)39)28-47(29-46,32-54-44(50)37-19-9-3-10-20-37)33-55-45(51)38-21-11-4-12-22-38/h1-26H,27-33H2
InChIKey VGARQKXUBOXTDM-UHFFFAOYSA-N
SmilesC1=C2C3C(CC(COC(=O)C4=CC=CC=C4)(COC(=O)C4=CC=CC=C4)CC(COC(=O)C4=CC=CC=C4)(COC(=O)C4=CC=CC=C4)CC=3C=C1)=CC=C2
400 MHz in CDCl3
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1H NMR 399.65 MHz C47 H40 O8 8 wt% in CDCl3 8,8,10,10-tetrakis(benzoyloxymethyl)-8,9,10,11-tetrahydro-7H-cycloocta(de)naphthalene 
Assign. Shift(ppm)
A *1 8.013 B *1 7.858 C 7.800 D *2 7.570 E *3 7.42 F *2 7.41 G 7.335 J 7.272 K *3 7.204 L *4 4.786 M *4 4.719 N 4.173 P *4 4.160 Q *4 3.917 R 3.232 S 2.147 T 1.056 CALCULATED BY LAOCN PROGRAM. J(C,G)=8.2HZ. J(C,J)=1.4HZ. J(D,E)=7.4HZ. J(A,D)=1.2HZ. J(G,J)=7.1HZ. J(S,T)=15.1HZ. J(L,M)=11.7HZ. J(P,Q)=10.9HZ. J(N,R)=15.0HZ.
Hz ppm Int.3208.98 8.030 183 3207.28 8.026 716 3206.05 8.023 908 3200.81 8.010 291 3198.97 8.005 945 3197.63 8.002 830 3149.90 7.882 59 3145.26 7.871 727 3144.04 7.867 894 3138.79 7.854 299 3136.96 7.850 914 3135.62 7.846 832 3132.08 7.838 58 3122.07 7.813 374 3120.73 7.809 398 3117.19 7.800 79 3113.89 7.792 418 3112.55 7.789 401 3034.91 7.594 132 3033.69 7.591 236 3032.35 7.588 155 3027.95 7.577 188 3026.25 7.573 513 3024.54 7.568 207 3022.34 7.563 57 3020.14 7.557 210 3018.80 7.554 353 3017.46 7.551 202 2978.52 7.453 71 2978.27 7.453 71 2977.05 7.450 79 2972.90 7.439 691 2971.31 7.435 362 2970.09 7.432 284 2968.75 7.429 363 2967.41 7.426 325 2964.72 7.419 1000 2962.40 7.413 391 2961.30 7.410 609 2959.72 7.406 333 2957.40 7.400 532 2955.20 7.395 277 2953.86 7.392 366 2952.64 7.389 209 2939.21 7.355 307 2936.28 7.348 67 2932.25 7.338 528 2928.71 7.329 70 2927.73 7.326 72 2924.19 7.317 465 2913.94 7.292 60 2909.91 7.282 462 2908.57 7.278 488 2905.15 7.270 105 2902.83 7.264 317 2901.49 7.261 310 2897.22 7.250 68 2896.48 7.248 59 2893.43 7.240 56 2892.82 7.239 56 2890.99 7.234 75 2890.26 7.232 77 2889.77 7.231 79 2889.28 7.230 79 2885.86 7.221 666 2884.28 7.218 309 2878.30 7.203 877 2877.69 7.201 937 2873.78 7.191 87 2873.29 7.190 87 2871.95 7.187 213 2870.24 7.182 513 1920.78 4.807 261 1920.41 4.806 262 1908.81 4.777 516 1890.14 4.730 494 1885.86 4.719 61 1885.38 4.718 57 1884.77 4.717 56 1883.42 4.713 56 1882.81 4.712 59 1881.96 4.710 58 1878.42 4.701 266 1681.15 4.207 56 1680.42 4.205 64 1676.03 4.194 282 1668.58 4.176 416 1660.77 4.156 341 1657.71 4.148 526 1570.56 3.930 464 1559.57 3.903 383 1298.83 3.250 301 1288.33 3.224 56 1283.94 3.213 277 866.09 2.168 140 850.95 2.130 148 429.32 1.075 166 414.18 1.037 156
in CDCl3
