1H NMR Spectrum (1D, 100 MHz, H2O, predicted) (NP0157807)
Spectrum Details
| NP-MRD ID: | NP0157807 |
|---|---|
| Compound name: | (1r,2s,5s,7r,8r,11r,14r,15r,17r)-2,15-dimethyl-14-[(2r)-6-methylheptan-2-yl]-18-oxapentacyclo[8.8.0.0¹,¹⁷.0²,⁷.0¹¹,¹⁵]octadec-9-ene-5,7,8-triol |
| 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 | 5.77 | 2 | d | 1 | 55 | 5.755.79 | |
| 2 | 4.88 | 33 | m | 1 | 61 | 4.634.654.664.704.714.734.734.744.754.774.794.794.804.814.824.864.874.884.894.934.944.954.964.995.005.025.055.055.075.085.105.145.16 | |
| 3 | 4.27 | 2 | d | 1 | 56 | 4.254.29 | |
| 4 | 3.37 | 6 | dd | 1 | 70 | 3.253.303.373.373.453.50 | |
| 5 | 2.91 | 8 | dd | 2 | 59 60 | 2.752.872.943.072.822.882.943.00 | |
| 6 | 2.91 | 26 | dd | 1 | 54 | 2.602.692.712.732.762.772.802.812.822.852.862.872.922.932.942.952.972.982.983.013.033.043.093.123.143.18 | |
| 7 | 2.10 | 8 | dd | 2 | 71 72 | 2.012.062.142.191.942.062.142.26 | |
| 8 | 1.74 | 17 | td | 1 | 66 | 1.421.571.601.671.681.691.701.721.731.771.821.831.851.861.871.891.94 | |
| 9 | 1.74 | 16 | ddd | 1 | 65 | 1.521.571.621.641.661.661.681.721.731.731.751.781.901.921.992.02 | |
| 10 | 1.57 | 21 | m | 1 | 63 | 1.321.361.391.441.471.501.511.541.561.571.581.581.601.611.621.651.681.681.701.731.88 | |
| 11 | 1.55 | 54 | m | 2 | 52 53 | 1.181.291.341.381.401.421.431.441.461.481.491.511.511.521.531.541.581.591.601.611.621.661.681.731.751.771.831.881.911.261.271.291.331.351.381.401.411.431.461.501.531.541.561.581.601.601.621.671.671.701.761.771.801.94 | |
| 12 | 1.52 | 19 | m | 1 | 64 | 1.251.311.351.381.391.411.491.521.531.541.561.571.571.581.601.631.641.691.78 | |
| 13 | 1.46 | 29 | m | 1 | 35 | 1.181.221.241.251.261.291.331.351.351.371.401.411.411.431.461.471.481.501.521.531.541.561.581.591.651.661.711.721.78 | |
| 14 | 1.42 | 67 | m | 2 | 50 51 | 1.081.091.121.141.181.221.241.281.281.291.321.331.361.381.391.401.411.421.441.451.461.481.511.521.531.541.551.561.571.611.631.651.681.691.161.181.191.211.261.281.291.301.321.341.361.381.391.401.421.441.451.451.461.471.491.501.511.521.531.531.571.591.601.661.681.701.72 | |
| 15 | 1.21 | 58 | m | 2 | 41 42 | 0.991.011.041.061.071.071.081.101.121.151.161.171.181.191.191.201.201.241.281.321.401.431.471.501.541.600.991.011.021.031.061.071.091.101.111.121.131.161.171.181.191.201.201.221.241.251.261.281.311.321.331.341.351.361.381.391.401.40 | |
| 16 | 1.20 | 41 | m | 1 | 45 | 0.860.920.981.011.011.021.031.041.051.071.081.091.101.111.121.131.141.141.151.171.171.181.191.201.211.231.241.261.271.281.291.331.361.371.391.411.421.451.481.501.56 | |
| 17 | 1.17 | 70 | td | 2 | 43 44 | 0.940.970.991.001.011.021.031.041.051.071.081.091.101.111.131.131.141.141.151.161.171.181.191.201.211.241.261.281.311.331.341.351.371.381.391.401.440.910.940.991.001.021.031.041.051.071.081.101.111.141.151.151.161.171.181.191.201.211.221.231.241.251.291.311.321.321.351.351.371.38 | |
| 18 | 1.16 | 54 | ddd | 1 | 49 | 0.830.850.860.870.880.890.920.930.940.950.960.970.991.001.011.031.041.051.061.071.071.081.091.111.121.131.141.151.171.181.201.211.231.241.241.251.261.281.291.301.311.321.341.351.361.381.401.411.431.431.521.541.561.59 | |
| 19 | 1.14 | 60 | td | 2 | 39 40 | 0.780.890.930.940.950.980.991.051.051.081.101.121.141.151.161.171.181.191.201.211.221.241.241.251.261.331.331.341.351.381.391.400.890.920.930.940.980.991.031.041.051.051.071.081.101.101.121.141.151.161.171.181.191.201.211.281.291.311.331.35 | |
| 20 | 1.13 | 1 | s | 3 | 67 68 69 | 1.13 | |
| 21 | 0.96 | 74 | m | 3 | 46 47 48 | 0.720.780.830.840.850.880.890.910.920.920.930.940.950.960.971.001.021.031.071.071.091.101.101.121.130.720.780.800.830.840.850.880.890.910.920.930.940.950.970.971.001.031.041.061.071.081.091.101.121.131.161.181.210.760.780.800.810.830.840.850.880.890.900.910.920.930.940.950.971.021.021.041.071.08 | |
| 22 | 0.82 | 1 | s | 3 | 73 74 75 | 0.82 | |
| 23 | 0.78 | 5 | quint | 3 | 36 37 38 | 0.760.820.760.760.82 | |
| 24 | 0.78 | 5 | quint | 3 | 32 33 34 | 0.760.820.760.760.82 | |
Experimental Conditions
| Solvent: | H2O |
|---|---|
| Nucleus: | 1H |
| Frequency: | 100 MHz |
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Peak List (TXT) | Download file | 37.7 KB |
| Peak Assignments (TXT) | Download file | 1.22 KB |
| Spectra Image with Peak Assignments | Not Available | Not Available |
| Raw Spectrum Image | Not Available | Not Available |
| nmrML File (NMRML) | Download file | 616 KB |
| JCAMP-DX File (JDX) | Download file | 200 KB |
| Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
| Validation Report | Not Available | Not Available |
References
Not Available