1H NMR Spectrum (1D, 700 MHz, H2O, predicted) (NP0275717)
Spectrum Details
| NP-MRD ID: | NP0275717 |
|---|---|
| Compound name: | (1r,2r,4r,5r,6s,7s,9r,10r,11s,14r,15r,16s,24s,26s)-10-hydroxy-9-(hydroxymethyl)-2,14,16-trimethyl-4-(prop-1-en-2-yl)-8,13,25,27,28,29-hexaoxaoctacyclo[13.10.1.1⁴,²⁴.1⁵,²⁴.1¹¹,¹⁴.0¹,⁶.0⁷,⁹.0¹¹,²⁶]nonacosan-12-one |
| Spectrum type: | 1H NMR Spectrum (1D, 700 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 | 5.00 | 1 | s | 2 | 40 41 | 5.00 | |
| 2 | 4.52 | 1 | s | 1 | 74 | 4.52 | |
| 3 | 3.92 | 1 | s | 2 | 76 77 | 3.92 | |
| 4 | 3.87 | 2 | d | 1 | 81 | 3.873.87 | |
| 5 | 3.16 | 2 | dd | 1 | 80 | 3.163.16 | |
| 6 | 2.88 | 1 | s | 1 | 79 | 2.88 | |
| 7 | 2.83 | 4 | dd | 1 | 69 | 2.822.832.832.84 | |
| 8 | 2.83 | 4 | q | 1 | 70 | 2.832.832.832.83 | |
| 9 | 2.05 | 8 | dd | 2 | 45 46 | 2.042.052.052.062.032.052.052.07 | |
| 10 | 2.05 | 21 | ddd | 2 | 51 52 | 2.022.032.032.042.052.052.062.082.032.032.032.042.042.052.052.052.062.062.072.072.07 | |
| 11 | 1.93 | 16 | m | 1 | 47 | 1.901.911.911.921.921.921.931.931.931.931.941.941.941.951.951.96 | |
| 12 | 1.84 | 1 | s | 3 | 42 43 44 | 1.84 | |
| 13 | 1.68 | 20 | m | 1 | 65 | 1.651.661.661.671.671.671.671.671.681.681.681.681.691.691.691.691.691.701.701.71 | |
| 14 | 1.42 | 1 | s | 3 | 71 72 73 | 1.42 | |
| 15 | 1.37 | 82 | m | 2 | 53 54 | 1.311.321.321.321.331.331.331.331.331.341.341.341.341.351.351.351.351.361.361.361.361.361.371.371.371.371.371.381.381.381.391.391.391.391.391.401.401.411.411.411.411.411.421.421.321.331.331.331.331.331.341.341.341.341.351.351.351.351.361.361.361.361.371.371.371.381.381.381.381.381.391.391.401.401.401.401.411.411.411.411.411.42 | |
| 16 | 1.32 | 119 | m | 2 | 61 62 | 1.271.271.271.271.281.281.281.281.281.291.291.291.291.291.301.301.301.301.301.311.311.311.311.311.321.321.321.321.331.331.331.331.331.331.331.341.341.341.341.341.341.351.351.351.351.361.361.361.361.361.371.371.371.371.381.381.391.261.261.261.271.271.271.271.281.281.281.291.291.291.291.291.291.291.301.301.301.301.311.311.311.311.311.311.321.321.321.321.331.331.331.331.331.331.331.341.341.341.341.351.351.351.351.351.361.361.361.361.371.371.371.371.371.371.381.381.381.391.39 | |
| 17 | 1.29 | 123 | m | 2 | 59 60 | 1.241.241.241.251.251.251.251.251.251.261.261.261.261.261.271.271.271.271.271.271.271.271.281.281.281.281.281.291.291.291.291.291.301.301.301.301.301.301.311.311.311.311.311.321.321.321.321.321.321.331.331.331.331.331.331.341.341.351.351.351.351.231.231.241.241.241.241.251.251.251.251.251.251.251.261.261.261.261.261.261.271.271.271.271.271.271.271.271.281.281.281.281.281.291.291.291.291.291.291.291.301.301.311.311.311.311.311.321.321.321.321.331.331.331.331.331.341.341.341.341.351.351.35 | |
| 18 | 1.28 | 101 | m | 2 | 55 56 | 1.231.231.231.241.241.241.241.251.251.251.251.251.251.261.261.261.261.261.271.271.271.271.271.271.271.281.281.281.281.291.291.291.291.301.301.301.301.301.311.311.311.311.311.311.311.321.321.321.231.231.231.231.231.241.241.241.241.241.251.251.251.251.251.251.261.261.261.261.261.271.271.271.271.271.281.281.281.281.281.281.281.291.291.291.291.301.301.301.301.301.301.311.311.311.311.311.311.311.321.321.32 | |
| 19 | 1.27 | 99 | m | 2 | 57 58 | 1.211.211.211.221.221.231.231.231.231.231.231.241.241.241.241.251.251.251.251.251.261.261.261.261.261.261.261.271.271.271.271.271.271.281.281.281.281.281.281.291.291.291.291.291.291.301.301.301.301.311.321.321.221.231.231.231.241.241.241.241.251.251.251.251.251.261.261.261.261.261.261.271.271.271.271.271.271.271.271.281.281.281.281.291.291.291.291.291.291.301.301.301.301.301.301.301.311.321.32 | |
| 20 | 1.24 | 63 | m | 2 | 63 64 | 1.201.201.211.211.211.221.221.221.231.231.231.241.241.241.241.241.251.251.251.261.261.261.261.261.271.281.281.281.281.281.201.201.201.201.211.211.221.221.231.231.231.231.231.241.241.241.241.241.241.251.251.251.251.251.261.261.261.261.271.271.271.281.28 | |
| 21 | 1.00 | 2 | d | 3 | 48 49 50 | 1.001.00 | |
| 22 | 0.92 | 2 | d | 3 | 66 67 68 | 0.920.92 | |
Experimental Conditions
| Solvent: | H2O |
|---|---|
| Nucleus: | 1H |
| Frequency: | 700 MHz |
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Peak List (TXT) | Download file | 36.9 KB |
| Peak Assignments (TXT) | Download file | 1.18 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 | 198 KB |
| Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
| Validation Report | Not Available | Not Available |
References
Not Available