1H NMR Spectrum (1D, 100 MHz, H2O, predicted) (NP0222010)
Spectrum Details
| NP-MRD ID: | NP0222010 |
|---|---|
| Compound name: | (1'r,2r,2'r,4's,5r,7's,8'r,9'r,12's,13'r,16's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-2',16'-diol |
| Spectrum type: | 1H NMR Spectrum (1D, 100 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 | 5.53 | 15 | dd | 1 | 44 | 5.325.345.395.425.485.505.535.545.555.565.585.625.695.695.71 | |
| 2 | 4.88 | 20 | ddd | 1 | 37 | 4.644.694.714.764.774.794.824.844.854.874.904.924.934.954.984.995.015.055.075.12 | |
| 3 | 3.70 | 53 | m | 1 | 47 | 3.293.303.333.373.383.383.413.463.473.483.483.493.543.553.563.583.603.613.623.633.643.673.683.693.703.713.713.723.733.753.753.773.773.793.803.823.833.843.853.873.883.893.913.913.923.933.933.953.953.974.024.034.16 | |
| 4 | 3.41 | 47 | dd | 2 | 72 73 | 3.193.223.253.263.273.283.293.293.323.333.353.373.383.393.413.413.433.443.463.463.513.553.553.563.583.583.243.253.273.283.293.363.383.393.393.403.423.433.453.463.513.553.573.583.603.603.66 | |
| 5 | 2.81 | 8 | dd | 2 | 38 39 | 2.642.772.852.972.732.772.852.89 | |
| 6 | 2.44 | 8 | dd | 2 | 45 46 | 2.322.402.482.562.242.392.482.63 | |
| 7 | 2.21 | 42 | ddd | 2 | 42 43 | 2.012.032.052.062.082.092.102.112.122.132.162.172.212.222.242.252.302.332.352.412.412.462.472.502.022.082.092.102.132.142.152.172.192.222.242.252.252.272.292.302.362.40 | |
| 8 | 2.07 | 39 | ddd | 1 | 41 | 1.851.871.881.881.901.911.911.931.941.951.951.981.992.002.012.022.042.052.062.062.082.092.102.112.132.132.152.152.172.192.192.212.232.242.272.292.302.332.34 | |
| 9 | 1.91 | 24 | dq | 1 | 35 | 1.711.731.741.791.811.831.851.851.881.891.901.911.921.931.941.951.971.982.002.012.022.022.062.07 | |
| 10 | 1.89 | 21 | m | 1 | 50 | 1.551.631.671.741.761.771.831.851.861.871.881.911.951.972.002.012.032.062.072.092.15 | |
| 11 | 1.85 | 14 | dd | 1 | 36 | 1.741.751.761.791.811.831.851.851.881.891.921.931.971.99 | |
| 12 | 1.84 | 20 | dtd | 1 | 49 | 1.651.671.681.741.761.771.791.801.811.821.841.861.871.891.911.921.931.962.042.06 | |
| 13 | 1.61 | 45 | ddd | 1 | 56 | 1.311.321.341.361.381.381.401.421.451.461.471.481.491.501.511.521.541.551.561.581.581.591.601.611.621.641.671.681.691.711.711.721.741.751.761.771.791.801.811.821.831.841.861.881.89 | |
| 14 | 1.60 | 50 | ddd | 2 | 64 65 | 1.381.401.411.441.501.511.531.531.551.581.591.621.621.641.661.731.821.851.331.391.421.431.451.451.461.471.481.491.511.521.531.551.561.571.601.601.631.641.651.671.691.701.751.801.821.831.841.881.911.96 | |
| 15 | 1.59 | 54 | m | 1 | 68 | 1.271.281.311.321.331.341.351.371.391.401.401.411.421.431.441.451.461.471.491.501.511.521.531.551.561.581.591.601.611.621.621.641.671.681.691.691.701.721.721.731.741.741.771.791.801.811.821.831.831.841.881.891.901.95 | |
| 16 | 1.56 | 38 | ddd | 2 | 51 52 | 1.271.291.391.451.481.511.531.551.561.591.601.621.631.641.641.691.711.341.361.381.411.421.481.491.531.541.581.591.601.601.611.681.691.711.721.741.791.82 | |
| 17 | 1.52 | 53 | m | 2 | 57 58 | 1.271.341.361.381.401.411.421.441.451.471.491.501.531.551.561.581.621.641.661.691.701.711.811.181.271.291.311.321.331.351.391.411.421.441.461.471.491.521.531.541.561.571.591.611.611.641.681.701.731.751.761.791.81 | |
| 18 | 1.51 | 75 | m | 2 | 66 67 | 1.261.291.311.331.351.361.371.391.401.421.431.451.491.491.501.511.511.531.541.551.561.571.581.591.601.611.641.661.681.691.711.721.771.781.851.251.251.261.301.301.311.321.331.341.361.371.391.391.411.431.441.451.461.471.481.501.501.521.521.531.541.551.571.581.611.621.651.661.681.701.721.741.771.821.83 | |
| 19 | 1.50 | 46 | ddd | 2 | 59 60 | 1.281.321.321.361.381.401.411.441.451.461.471.471.491.521.521.531.561.621.641.651.661.681.701.281.311.361.381.401.411.421.431.451.471.491.501.511.521.551.601.611.621.661.681.701.711.73 | |
| 20 | 1.05 | 1 | s | 3 | 61 62 63 | 1.05 | |
| 21 | 1.00 | 1 | s | 3 | 53 54 55 | 1.00 | |
| 22 | 0.99 | 32 | m | 3 | 32 33 34 | 0.870.940.950.960.991.011.081.091.120.830.870.950.960.970.990.991.001.011.081.091.130.870.870.950.960.970.990.991.011.081.091.16 | |
| 23 | 0.88 | 48 | m | 3 | 69 70 71 | 0.670.710.730.740.810.840.860.880.901.001.011.021.041.060.710.730.730.810.840.840.850.860.870.880.901.001.011.021.031.041.060.670.690.730.740.790.840.850.860.870.870.880.901.001.011.031.041.06 | |
Experimental Conditions
| Solvent: | H2O |
|---|---|
| Nucleus: | 1H |
| Frequency: | 100 MHz |
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Peak List (TXT) | Download file | 40.9 KB |
| Peak Assignments (TXT) | Download file | 1.28 KB |
| Spectra Image with Peak Assignments | Not Available | Not Available |
| Raw Spectrum Image | Not Available | Not Available |
| nmrML File (NMRML) | Download file | 622 KB |
| JCAMP-DX File (JDX) | Download file | 207 KB |
| Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
| Validation Report | Not Available | Not Available |
References
Not Available