#rdkit symbol shift mult coup 32 H 5.7427264409881 d 16.0 31 H 1.15782250686185 s NA 27 H 1.2064653857883467 s NA 26 H 1.2064653857883467 s NA 25 H 1.2064653857883467 s NA 29 H 1.20436108569686 s NA 28 H 1.20436108569686 s NA 30 H 1.20436108569686 s NA 33 H 6.22067703568161 dd 11.0,16.0 34 H 5.70695333943275 d 11.0 50 H 2.62323879231473 ddd 1.2,8.2,11.8 39 H 2.27566331198536 ddd -15.4,3.0,9.2 40 H 2.39414455626715 ddd -15.4,1.4,5.0 42 H 0.88462946020128 s NA 41 H 3.72387923147301 dd 1.4,9.2 52 H 2.04666056724611 d -15.4 51 H 1.83760292772186 d -15.4 44 H 0.9709362610551997 s NA 45 H 0.9709362610551997 s NA 43 H 0.9709362610551997 s NA 46 H 2.27886550777676 ddd -12.4,2.0,13.4 47 H 0.941354071363221 ddd -12.4,2.0,7.8 48 H 0.974290942360474 m -12.4,1.2,2.0,7.8 49 H 1.98838060384263 m -12.4,2.0,8.2,13.4 38 H 5.74300091491308 dd 3.0,5.0 37 H 2.94629460201281 d 11.8 36 H 5.14894784995426 d -12.4 35 H 5.17017383348582 d -12.4