1H NMR Spectrum (1D, 200 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, 200 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 | 6.16 | 4 | dd | 1 | 39 | 6.116.146.186.22 | |
| 2 | 5.31 | 8 | dd | 1 | 53 | 5.235.235.295.315.315.335.395.39 | |
| 3 | 5.21 | 6 | dt | 1 | 38 | 5.145.175.215.215.255.28 | |
| 4 | 3.68 | 11 | m | 1 | 56 | 3.583.593.613.653.653.693.693.733.733.773.79 | |
| 5 | 2.44 | 4 | dd | 2 | 54 55 | 2.422.462.422.46 | |
| 6 | 2.33 | 10 | m | 1 | 40 | 2.252.282.282.312.322.352.352.382.382.41 | |
| 7 | 2.25 | 4 | dd | 2 | 36 37 | 2.222.252.252.28 | |
| 8 | 2.02 | 15 | ddd | 2 | 51 52 | 1.961.981.992.012.032.052.091.911.931.992.012.042.062.112.13 | |
| 9 | 1.85 | 32 | m | 2 | 58 59 | 1.751.761.781.801.811.831.841.841.861.871.881.901.941.711.741.781.801.821.831.841.861.871.871.871.891.891.901.911.931.931.972.00 | |
| 10 | 1.72 | 15 | m | 1 | 32 | 1.571.611.641.671.681.701.711.731.731.751.761.781.791.811.83 | |
| 11 | 1.61 | 34 | ddd | 1 | 44 | 1.381.441.461.491.511.531.541.541.561.561.571.571.581.591.591.601.611.621.621.631.641.651.651.661.661.671.681.681.681.691.711.781.791.80 | |
| 12 | 1.57 | 38 | m | 1 | 50 | 1.431.431.461.461.481.491.491.501.511.511.511.521.521.531.531.541.551.551.561.571.571.581.581.591.601.601.611.611.621.621.641.641.661.661.691.691.711.76 | |
| 13 | 1.50 | 25 | ddd | 2 | 60 61 | 1.391.411.421.431.451.491.491.501.501.521.561.581.611.421.461.481.481.491.491.521.541.551.561.561.62 | |
| 14 | 1.49 | 30 | m | 2 | 66 67 | 1.361.381.411.421.421.451.461.471.481.491.491.521.531.541.571.581.591.591.631.651.421.431.461.471.481.491.491.511.521.54 | |
| 15 | 1.47 | 85 | m | 2 | 45 46 | 1.261.271.331.331.351.361.371.391.401.421.421.431.441.451.451.461.471.471.481.501.511.511.511.531.541.541.541.551.551.571.581.601.611.621.631.651.671.241.251.261.271.281.281.301.311.331.341.351.361.371.391.401.411.411.421.431.441.451.461.471.481.481.491.501.511.511.521.521.541.541.561.561.571.571.581.581.601.601.611.611.631.631.651.661.67 | |
| 16 | 1.31 | 85 | m | 2 | 47 48 | 1.121.151.171.171.181.201.211.221.231.231.261.261.271.281.291.291.291.301.301.311.321.331.331.351.361.371.371.371.401.411.411.421.431.441.461.491.511.551.621.071.141.141.151.161.171.181.181.191.191.201.211.231.231.241.251.251.271.271.271.281.291.311.311.321.331.331.341.341.341.351.351.361.371.381.401.411.421.431.441.451.471.501.501.511.54 | |
| 17 | 1.20 | 53 | ddd | 1 | 49 | 0.960.971.011.021.021.041.041.051.071.081.081.101.121.121.131.131.131.131.141.161.161.171.171.171.181.181.191.191.211.221.221.221.241.241.241.251.271.281.291.301.321.321.331.341.351.351.361.381.401.411.421.441.45 | |
| 18 | 1.18 | 26 | ddd | 2 | 68 69 | 1.091.101.141.161.161.171.171.181.201.231.251.301.071.091.101.111.131.161.171.171.201.221.231.241.261.29 | |
| 19 | 1.02 | 1 | s | 3 | 70 71 72 | 1.02 | |
| 20 | 1.01 | 26 | ddd | 1 | 65 | 0.890.900.900.900.930.960.960.960.970.970.980.991.011.021.021.021.031.031.041.051.061.091.091.101.101.20 | |
| 21 | 0.99 | 1 | s | 3 | 62 63 64 | 0.99 | |
| 22 | 0.88 | 3 | t | 3 | 41 42 43 | 0.870.870.91 | |
| 23 | 0.87 | 4 | q | 3 | 33 34 35 | 0.850.890.850.89 | |
| 24 | 0.87 | 4 | q | 3 | 29 30 31 | 0.850.890.850.89 | |
Experimental Conditions
| Solvent: | H2O |
|---|---|
| Nucleus: | 1H |
| Frequency: | 200 MHz |
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Peak List (TXT) | Download file | 28.8 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 | 603 KB |
| JCAMP-DX File (JDX) | Download file | 195 KB |
| Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
| Validation Report | Not Available | Not Available |
References
Not Available