1H NMR Spectrum (1D, 100 MHz, H2O, predicted) (NP0230116)
Spectrum Details
| NP-MRD ID: | NP0230116 |
|---|---|
| Compound name: | (1r,3as,3bs,7s,9ar,9bs,11ar)-9a,11a-dimethyl-1-[(2r,3e)-6-methylhept-3-en-2-yl]-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol |
| 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 | 6.17 | 4 | dd | 1 | 39 | 6.066.136.216.28 | |
| 2 | 5.31 | 8 | dd | 1 | 53 | 5.145.165.275.315.315.355.465.48 | |
| 3 | 5.20 | 6 | dt | 1 | 38 | 5.065.135.205.215.285.35 | |
| 4 | 3.73 | 21 | m | 1 | 56 | 3.383.463.463.493.493.543.623.693.703.703.773.773.783.853.853.903.923.954.004.014.09 | |
| 5 | 2.44 | 4 | dd | 2 | 54 55 | 2.402.482.402.48 | |
| 6 | 2.31 | 13 | m | 1 | 40 | 2.122.172.232.232.242.292.302.302.362.372.432.442.50 | |
| 7 | 2.25 | 7 | dd | 2 | 36 37 | 2.262.192.242.252.262.262.32 | |
| 8 | 2.02 | 23 | ddd | 2 | 51 52 | 1.891.931.962.002.042.082.151.811.821.851.851.891.972.002.062.062.072.102.102.172.212.212.25 | |
| 9 | 1.85 | 34 | m | 2 | 58 59 | 1.651.671.691.711.751.761.781.801.821.831.871.891.901.901.942.042.111.581.641.711.751.791.821.831.871.881.901.901.931.951.982.022.022.10 | |
| 10 | 1.72 | 21 | m | 1 | 32 | 1.451.511.571.581.631.641.651.661.701.701.711.731.761.761.791.821.831.851.891.921.95 | |
| 11 | 1.63 | 36 | ddd | 1 | 44 | 1.341.361.401.421.431.441.461.481.501.521.541.551.571.581.601.611.621.641.641.661.671.681.701.701.711.731.741.751.751.771.801.821.841.861.871.97 | |
| 12 | 1.57 | 44 | m | 1 | 50 | 1.171.231.251.291.301.301.311.321.371.371.391.421.431.441.451.461.481.491.511.521.541.551.561.571.581.601.621.651.661.661.681.721.731.751.761.801.831.851.881.921.941.961.981.99 | |
| 13 | 1.49 | 28 | ddd | 2 | 60 61 | 1.221.281.331.351.361.411.471.491.511.541.551.621.661.671.731.191.331.431.461.471.481.501.541.551.591.611.631.73 | |
| 14 | 1.47 | 43 | m | 2 | 66 67 | 0.850.921.131.241.301.331.401.441.451.471.491.551.551.561.571.591.611.651.671.691.691.701.761.821.101.351.371.381.401.411.431.451.461.471.491.501.531.531.541.591.601.611.75 | |
| 15 | 1.44 | 98 | m | 2 | 45 46 | 1.011.061.111.131.141.171.181.191.211.221.231.271.291.301.321.331.351.361.381.391.401.421.431.431.461.481.491.501.521.521.531.541.571.581.581.591.611.621.651.671.701.731.751.831.851.891.031.071.121.121.171.181.191.191.211.221.231.251.271.281.301.321.331.361.361.381.381.391.401.421.421.431.441.461.481.501.511.521.531.541.551.561.581.591.601.621.631.651.671.681.701.701.721.731.771.801.831.87 | |
| 16 | 1.31 | 106 | m | 2 | 47 48 | 0.880.940.960.971.031.051.091.111.121.131.141.151.161.171.181.191.211.221.241.251.261.271.271.281.291.311.311.321.341.361.381.391.391.401.411.431.441.451.461.471.491.501.521.551.561.581.611.641.641.720.870.950.960.980.991.011.021.041.061.081.101.111.121.131.161.181.181.191.211.231.251.251.261.261.271.271.281.301.301.321.331.341.361.371.381.391.421.421.431.431.441.461.481.501.541.561.571.581.611.631.641.641.651.661.671.70 | |
| 17 | 1.25 | 43 | ddd | 2 | 68 69 | 1.001.031.111.141.151.161.181.201.221.231.271.281.291.331.351.411.441.541.571.680.910.950.971.011.031.081.091.151.161.181.221.231.271.291.291.331.351.371.421.451.471.491.53 | |
| 18 | 1.20 | 46 | ddd | 1 | 49 | 0.800.880.890.900.910.920.991.001.011.031.041.051.081.081.101.111.131.151.161.181.201.211.211.231.241.251.261.271.271.281.301.301.311.321.341.361.381.391.401.411.441.451.461.501.521.54 | |
| 19 | 1.02 | 1 | s | 3 | 70 71 72 | 1.02 | |
| 20 | 0.99 | 1 | s | 3 | 62 63 64 | 0.99 | |
| 21 | 0.97 | 31 | ddd | 1 | 65 | 0.590.650.700.710.730.780.790.800.850.910.920.930.930.950.970.991.011.031.031.051.071.071.101.121.121.151.171.201.211.231.25 | |
| 22 | 0.91 | 4 | q | 3 | 41 42 43 | 0.920.920.860.92 | |
| 23 | 0.88 | 4 | q | 3 | 33 34 35 | 0.900.900.840.90 | |
| 24 | 0.88 | 4 | q | 3 | 29 30 31 | 0.900.900.840.90 | |
Experimental Conditions
| Solvent: | H2O |
|---|---|
| Nucleus: | 1H |
| Frequency: | 100 MHz |
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Peak List (TXT) | Download file | 34.1 KB |
| Peak Assignments (TXT) | Download file | 1.26 KB |
| Spectra Image with Peak Assignments | Not Available | Not Available |
| Raw Spectrum Image | Not Available | Not Available |
| nmrML File (NMRML) | Download file | 612 KB |
| JCAMP-DX File (JDX) | Download file | 203 KB |
| Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
| Validation Report | Not Available | Not Available |
References
Not Available