13C NMR Spectrum (1D, 201 MHz, H2O, predicted) (NP0148976)
Spectrum Details
| NP-MRD ID: | NP0148976 |
|---|---|
| Compound name: | (2s)-2-hydroxy-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl (9z,12z,15z)-octadeca-9,12,15-trienoate |
| Spectrum type: | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) |
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| Peak Assignment Table | |||||||
|---|---|---|---|---|---|---|---|
| Row No. | Cluster Midpoint | No. Peaks | Coupling Type | No. C's | Atom No. | Peak Centers (ppm) | |
| 1 | 174.48 | 1 | s | 1 | 18 | 174.48 | |
| 2 | 133.62 | 1 | s | 1 | 3 | 133.62 | |
| 3 | 130.41 | 1 | s | 1 | 10 | 130.41 | |
| 4 | 129.48 | 1 | s | 1 | 4 | 129.48 | |
| 5 | 128.20 | 1 | s | 1 | 7 | 128.20 | |
| 6 | 128.05 | 1 | s | 1 | 6 | 128.05 | |
| 7 | 127.83 | 1 | s | 1 | 9 | 127.83 | |
| 8 | 102.98 | 1 | s | 1 | 26 | 102.98 | |
| 9 | 102.69 | 1 | s | 1 | 31 | 102.69 | |
| 10 | 78.29 | 1 | s | 1 | 44 | 78.29 | |
| 11 | 77.01 | 1 | s | 1 | 28 | 77.01 | |
| 12 | 76.14 | 1 | s | 1 | 33 | 76.14 | |
| 13 | 75.24 | 1 | s | 1 | 38 | 75.24 | |
| 14 | 73.09 | 1 | s | 1 | 46 | 73.09 | |
| 15 | 73.09 | 1 | s | 1 | 40 | 73.09 | |
| 16 | 71.80 | 1 | s | 1 | 42 | 71.80 | |
| 17 | 71.66 | 1 | s | 1 | 36 | 71.66 | |
| 18 | 68.50 | 1 | s | 1 | 24 | 68.50 | |
| 19 | 67.50 | 1 | s | 1 | 22 | 67.50 | |
| 20 | 67.31 | 1 | s | 1 | 29 | 67.31 | |
| 21 | 65.37 | 1 | s | 1 | 21 | 65.37 | |
| 22 | 62.60 | 1 | s | 1 | 34 | 62.60 | |
| 23 | 34.25 | 1 | s | 1 | 17 | 34.25 | |
| 24 | 29.22 | 1 | s | 1 | 15 | 29.22 | |
| 25 | 29.09 | 1 | s | 1 | 13 | 29.09 | |
| 26 | 28.65 | 1 | s | 1 | 12 | 28.65 | |
| 27 | 28.10 | 1 | s | 1 | 14 | 28.10 | |
| 28 | 26.84 | 1 | s | 1 | 11 | 26.84 | |
| 29 | 25.70 | 1 | s | 1 | 8 | 25.70 | |
| 30 | 25.65 | 1 | s | 1 | 5 | 25.65 | |
| 31 | 24.99 | 1 | s | 1 | 16 | 24.99 | |
| 32 | 21.46 | 1 | s | 1 | 2 | 21.46 | |
| 33 | 14.24 | 1 | s | 1 | 1 | 14.24 | |
Experimental Conditions
| Solvent: | H2O |
|---|---|
| Nucleus: | 13C |
| Frequency: | 800 MHz |
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Peak List (TXT) | Download file | 1.68 KB |
| Peak Assignments (TXT) | Download file | 1.62 KB |
| Spectra Image with Peak Assignments | Not Available | Not Available |
| Raw Spectrum Image | Not Available | Not Available |
| nmrML File (NMRML) | Download file | 567 KB |
| JCAMP-DX File (JDX) | Download file | 157 KB |
| Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
| Validation Report | Not Available | Not Available |
References
Not Available