#rdkit symbol shift mult coup 26 H 6.2256175663312 dd 12.0,16.0 51 H 1.60082342177493 dd 6.4,13.0 32 H 0.698261665141809 s NA 33 H 1.84656907593779 ddd -12.4,1.6,10.8 35 H 1.48819762122598 m -12.4,1.6,10.6,10.8 36 H 1.49185727355901 m -12.4,5.6,5.8,10.8 37 H 1.60841720036596 dd 5.6,10.6 49 H 0.8254650808173224 s NA 50 H 0.8254650808173224 s NA 48 H 0.8254650808173224 s NA 40 H 0.9784995425434536 s NA 39 H 0.9784995425434536 s NA 38 H 0.9784995425434536 s NA 42 H 0.9192741689539478 s NA 43 H 0.9192741689539478 s NA 41 H 0.9192741689539478 s NA 44 H 2.40969807868252 ddd -15.4,9.0,9.2 45 H 2.21546203110704 ddd -15.4,1.0,10.4 47 H 2.07538883806038 ddd -12.4,1.0,9.0 46 H 1.66633119853614 ddd -12.4,9.2,10.4 34 H 1.47301006404392 ddd -12.4,5.8,10.8 31 H 2.03604757548033 d -12.4 30 H 1.64043915827996 d -12.4 52 H 1.97538883806038 dd -15.4,6.4 53 H 3.50475754803294 dd -15.4,13.0 27 H 0.9347057029582176 s NA 28 H 0.9347057029582176 s NA 29 H 0.9347057029582176 s NA 25 H 4.7224153705398 dd 2.4,12.0 24 H 4.45773101555352 dd 2.4,16.0