1H NMR Spectrum (1D, 400 MHz, H2O, predicted) (NP0299832)
Spectrum Details
| NP-MRD ID: | NP0299832 |
|---|---|
| Compound name: | (1r,3as,3br,7s,9ar,9bs,11as)-9a,11a-dimethyl-1-[(1s)-1-[(2r,5s)-5-methylpiperidin-2-yl]ethyl]-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol |
| Spectrum type: | 1H NMR Spectrum (1D, 400 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 | 5.31 | 3 | dd | 1 | 52 | 5.305.315.32 | |
| 2 | 3.69 | 10 | m | 1 | 55 | 3.633.653.673.673.693.693.713.713.733.75 | |
| 3 | 2.99 | 17 | ddd | 1 | 38 | 2.952.952.962.962.972.982.982.992.992.993.003.003.003.013.023.023.03 | |
| 4 | 2.83 | 16 | m | 1 | 39 | 2.792.802.812.812.822.822.822.822.842.842.842.842.852.852.852.87 | |
| 5 | 2.55 | 9 | dd | 2 | 73 74 | 2.522.542.562.582.512.522.542.562.59 | |
| 6 | 2.44 | 7 | dd | 2 | 53 54 | 2.392.432.492.412.432.452.47 | |
| 7 | 2.13 | 30 | m | 1 | 33 | 2.082.082.092.102.102.102.112.112.112.122.122.122.132.132.132.132.142.142.142.152.152.152.162.162.162.172.182.182.202.20 | |
| 8 | 2.02 | 14 | ddd | 2 | 50 51 | 1.971.982.002.012.032.042.072.081.992.002.012.032.042.05 | |
| 9 | 1.85 | 28 | m | 2 | 57 58 | 1.781.791.811.811.821.841.841.841.861.861.871.881.891.891.911.921.811.811.831.831.841.841.841.861.861.861.871.90 | |
| 10 | 1.84 | 24 | m | 1 | 37 | 1.771.781.791.801.801.811.821.831.831.841.841.841.841.841.851.851.851.861.871.881.881.881.891.91 | |
| 11 | 1.83 | 23 | ddt | 1 | 36 | 1.771.781.801.801.811.811.821.821.821.831.831.831.831.841.841.841.851.851.851.861.871.881.91 | |
| 12 | 1.72 | 24 | ddd | 2 | 67 68 | 1.671.681.701.711.731.731.731.731.751.761.771.781.671.701.701.701.701.721.731.731.731.741.751.76 | |
| 13 | 1.62 | 21 | ddd | 1 | 43 | 1.571.571.581.581.591.601.601.611.611.611.621.621.621.631.631.641.651.651.651.651.66 | |
| 14 | 1.58 | 46 | m | 2 | 34 35 | 1.511.511.521.541.541.541.551.571.571.571.581.581.581.581.581.591.591.601.621.621.621.631.631.651.651.541.541.551.551.561.561.571.571.571.581.591.591.591.591.601.601.611.611.611.621.62 | |
| 15 | 1.56 | 11 | m | 1 | 49 | 1.511.521.541.551.551.561.571.571.581.601.61 | |
| 16 | 1.50 | 31 | m | 2 | 65 66 | 1.451.471.491.491.501.511.511.511.511.521.531.541.551.421.441.451.461.461.471.481.491.491.491.501.511.521.531.541.541.561.57 | |
| 17 | 1.49 | 23 | ddd | 2 | 59 60 | 1.451.461.471.491.491.491.491.511.521.521.441.451.461.461.471.491.491.491.511.521.521.541.55 | |
| 18 | 1.47 | 49 | m | 2 | 44 45 | 1.431.431.441.461.461.461.471.471.471.481.491.491.491.491.491.501.501.521.541.541.561.591.311.351.401.411.421.421.431.431.441.441.451.461.461.471.471.471.481.481.491.491.501.511.511.521.531.541.55 | |
| 19 | 1.33 | 55 | m | 2 | 46 47 | 1.151.241.261.271.281.281.291.291.291.301.311.311.311.321.321.331.331.331.341.351.361.361.361.361.371.381.391.401.191.261.261.281.291.301.301.311.311.311.321.321.331.331.341.341.341.351.371.371.371.371.381.441.451.481.52 | |
| 20 | 1.16 | 25 | ddd | 1 | 48 | 1.111.121.121.121.131.141.141.151.151.151.151.161.161.161.161.171.171.171.181.191.191.201.201.201.31 | |
| 21 | 1.00 | 18 | ddd | 1 | 64 | 0.960.960.960.970.970.980.990.991.001.001.011.011.011.031.041.041.041.04 | |
| 22 | 0.99 | 1 | s | 3 | 61 62 63 | 0.99 | |
| 23 | 0.99 | 2 | d | 3 | 40 41 42 | 0.981.00 | |
| 24 | 0.82 | 2 | d | 3 | 30 31 32 | 0.810.83 | |
| 25 | 0.69 | 2 | s | 3 | 69 70 71 | 0.690.69 | |
Experimental Conditions
| Solvent: | H2O |
|---|---|
| Nucleus: | 1H |
| Frequency: | 400 MHz |
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Peak List (TXT) | Download file | 26.9 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 | 601 KB |
| JCAMP-DX File (JDX) | Download file | 190 KB |
| Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
| Validation Report | Not Available | Not Available |
References
Not Available