1H NMR Spectrum (1D, 800 MHz, H2O, predicted) (NP0137595)
Spectrum Details
| NP-MRD ID: | NP0137595 |
|---|---|
| Compound name: | FK-506 |
| Spectrum type: | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) |
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| Peak Assignment Table | |||||||
|---|---|---|---|---|---|---|---|
| Row No. | Cluster Midpoint | No. Peaks | Coupling Type | No. H's | Atom No. | Peak Centers (ppm) | |
| 1 | 5.92 | 2 | d | 1 | 64 | 5.915.93 | |
| 2 | 5.92 | 2 | d | 1 | 95 | 5.925.92 | |
| 3 | 5.70 | 13 | ddt | 1 | 60 | 5.675.685.695.695.705.705.705.705.705.715.715.725.73 | |
| 4 | 5.18 | 2 | d | 1 | 91 | 5.185.18 | |
| 5 | 4.95 | 8 | dd | 2 | 58 59 | 4.944.944.964.964.944.944.964.96 | |
| 6 | 4.61 | 12 | ddd | 1 | 123 | 4.594.594.604.604.614.614.614.624.624.624.634.63 | |
| 7 | 4.61 | 11 | ddd | 1 | 103 | 4.594.604.604.604.614.614.614.624.624.624.63 | |
| 8 | 4.61 | 16 | ddd | 1 | 76 | 4.594.594.594.604.604.614.614.614.614.614.614.624.624.634.634.63 | |
| 9 | 4.45 | 10 | dd | 1 | 90 | 4.434.434.434.444.454.454.454.464.474.47 | |
| 10 | 4.43 | 4 | dd | 1 | 80 | 4.424.434.434.44 | |
| 11 | 4.19 | 10 | ddd | 1 | 113 | 4.174.174.184.184.194.194.204.204.214.21 | |
| 12 | 4.17 | 16 | ddd | 1 | 101 | 4.154.154.154.154.164.164.164.174.174.184.184.184.194.194.194.19 | |
| 13 | 3.67 | 36 | ddd | 2 | 82 83 | 3.653.653.663.663.663.673.673.673.673.673.673.683.683.683.683.693.693.693.653.653.653.653.663.663.663.673.673.683.683.683.683.693.693.693.693.70 | |
| 14 | 3.46 | 1 | s | 3 | 124 125 126 | 3.46 | |
| 15 | 3.46 | 1 | s | 3 | 104 105 106 | 3.46 | |
| 16 | 3.46 | 1 | s | 3 | 77 78 79 | 3.46 | |
| 17 | 2.83 | 6 | dt | 1 | 63 | 2.822.822.832.832.842.84 | |
| 18 | 2.77 | 8 | dd | 2 | 115 116 | 2.752.772.772.792.762.772.772.78 | |
| 19 | 2.51 | 43 | m | 1 | 96 | 2.472.472.482.482.482.492.492.492.492.502.502.502.502.502.502.502.502.512.512.512.512.512.512.512.512.512.522.522.522.522.522.522.522.522.532.532.532.532.542.542.542.552.55 | |
| 20 | 2.44 | 11 | dd | 2 | 68 69 | 2.422.432.442.442.462.422.432.442.442.452.46 | |
| 21 | 2.30 | 21 | m | 1 | 117 | 2.272.282.282.292.292.292.292.292.292.302.302.302.302.312.312.312.312.322.322.322.33 | |
| 22 | 2.25 | 3 | dd | 2 | 61 62 | 2.242.252.26 | |
| 23 | 2.05 | 14 | m | 1 | 109 | 2.032.042.042.042.042.052.052.052.052.062.062.062.062.07 | |
| 24 | 1.88 | 16 | ddd | 2 | 107 108 | 1.861.861.871.881.881.891.901.901.871.871.871.881.881.891.891.89 | |
| 25 | 1.88 | 12 | ddd | 2 | 121 122 | 1.851.871.881.881.891.911.871.871.881.881.891.89 | |
| 26 | 1.87 | 17 | ddd | 2 | 74 75 | 1.861.861.861.861.861.871.881.881.891.901.861.871.871.881.881.891.90 | |
| 27 | 1.84 | 39 | m | 1 | 70 | 1.801.811.811.811.821.821.821.821.821.831.831.831.831.831.831.831.841.841.841.841.841.841.841.841.851.851.851.851.851.861.861.861.861.861.861.871.871.871.88 | |
| 28 | 1.84 | 54 | m | 2 | 88 89 | 1.811.821.821.821.821.821.831.831.831.831.841.841.841.841.841.851.851.851.851.851.861.861.871.801.801.801.811.821.821.821.821.831.831.831.841.841.841.841.841.841.841.851.851.851.851.861.861.861.871.871.871.881.881.88 | |
| 29 | 1.80 | 36 | m | 2 | 99 100 | 1.761.761.771.781.781.791.791.791.801.801.801.801.801.811.811.811.821.821.821.831.841.781.781.791.791.791.801.801.801.801.801.811.811.811.821.83 | |
| 30 | 1.75 | 1 | s | 3 | 65 66 67 | 1.75 | |
| 31 | 1.62 | 3 | s | 3 | 92 93 94 | 1.621.621.62 | |
| 32 | 1.58 | 42 | m | 2 | 97 98 | 1.561.571.571.571.581.581.581.581.581.581.591.591.591.591.601.541.541.551.561.561.561.561.561.561.571.571.571.581.581.581.581.581.591.591.591.601.601.601.601.611.621.62 | |
| 33 | 1.57 | 90 | m | 2 | 84 85 | 1.521.521.521.531.531.531.531.541.541.541.541.541.551.551.551.551.551.551.551.561.561.561.561.561.561.571.571.571.581.581.581.581.581.591.591.591.591.601.601.601.601.601.611.611.611.521.531.531.531.541.541.541.541.541.541.551.551.551.551.551.551.551.561.561.561.561.561.561.571.571.571.571.571.571.571.571.581.581.581.591.591.591.601.601.601.601.601.601.611.61 | |
| 34 | 1.52 | 79 | m | 2 | 86 87 | 1.481.481.481.491.491.501.501.511.511.511.511.511.511.511.521.521.521.521.521.531.531.531.531.541.541.541.551.551.551.551.561.561.561.561.561.571.571.571.491.491.491.491.491.491.501.501.501.501.511.511.511.511.511.511.511.521.521.521.521.521.521.521.531.531.531.531.531.531.541.541.541.551.551.551.551.561.561.561.56 | |
| 35 | 1.10 | 2 | d | 3 | 118 119 120 | 1.101.10 | |
| 36 | 0.90 | 5 | quint | 3 | 71 72 73 | 0.910.890.900.900.91 | |
| 37 | 0.65 | 2 | d | 3 | 110 111 112 | 0.650.65 | |
Experimental Conditions
| Solvent: | H2O |
|---|---|
| Nucleus: | 1H |
| Frequency: | 800 MHz |
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Peak List (TXT) | Download file | 36.3 KB |
| Peak Assignments (TXT) | Download file | 2.09 KB |
| Spectra Image with Peak Assignments | Not Available | Not Available |
| Raw Spectrum Image | Not Available | Not Available |
| nmrML File (NMRML) | Download file | 621 KB |
| JCAMP-DX File (JDX) | Download file | 202 KB |
| Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
| Validation Report | Not Available | Not Available |
References
Not Available