13C NMR Spectrum (1D, 500 MHz, D2O, predicted) (HMDB0012593)
Spectrum Details
HMDB ID: | HMDB0012593 |
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Compound name: | 16(S)-hydroxy-18-oxo-18-CoA-LTE4 |
Spectrum type: | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) |
Spectrum View
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Assignment Table | |||||||
---|---|---|---|---|---|---|---|
Row No. | Cluster Midpoint | No. Peaks | Coupling Type | No. C's | Atom No. | Peak Centers (ppm) | |
1 | 197.65 | 1 | s | 1 | 49 | 197.65 | |
2 | 178.35 | 1 | s | 1 | 76 | 178.35 | |
3 | 174.90 | 1 | s | 1 | 38 | 174.90 | |
4 | 173.28 | 1 | s | 1 | 68 | 173.28 | |
5 | 168.70 | 1 | s | 1 | 43 | 168.70 | |
6 | 155.04 | 1 | s | 1 | 27 | 155.04 | |
7 | 151.58 | 1 | s | 1 | 19 | 151.58 | |
8 | 149.93 | 1 | s | 1 | 22 | 149.93 | |
9 | 149.00 | 1 | s | 1 | 25 | 149.00 | |
10 | 145.66 | 1 | s | 1 | 21 | 145.66 | |
11 | 140.94 | 1 | s | 1 | 57 | 140.94 | |
12 | 134.21 | 1 | s | 1 | 62 | 134.21 | |
13 | 132.50 | 1 | s | 1 | 61 | 132.50 | |
14 | 131.94 | 1 | s | 1 | 60 | 131.94 | |
15 | 131.72 | 1 | s | 1 | 59 | 131.72 | |
16 | 129.90 | 1 | s | 1 | 58 | 129.90 | |
17 | 89.68 | 1 | s | 1 | 17 | 89.68 | |
18 | 77.65 | 1 | s | 1 | 15 | 77.65 | |
19 | 76.36 | 1 | s | 1 | 36 | 76.36 | |
20 | 73.95 | 1 | s | 1 | 28 | 73.95 | |
21 | 73.64 | 1 | s | 1 | 71 | 73.64 | |
22 | 72.84 | 1 | s | 1 | 30 | 72.84 | |
23 | 70.96 | 1 | s | 1 | 4 | 70.96 | |
24 | 67.83 | 1 | s | 1 | 52 | 67.83 | |
25 | 64.69 | 1 | s | 1 | 14 | 64.69 | |
26 | 53.94 | 1 | s | 1 | 66 | 53.94 | |
27 | 52.80 | 1 | s | 1 | 63 | 52.80 | |
28 | 51.93 | 1 | s | 1 | 51 | 51.93 | |
29 | 39.56 | 1 | s | 1 | 2 | 39.56 | |
30 | 39.50 | 1 | s | 1 | 46 | 39.50 | |
31 | 36.68 | 1 | s | 1 | 54 | 36.68 | |
32 | 36.40 | 1 | s | 1 | 41 | 36.40 | |
33 | 35.28 | 1 | s | 1 | 42 | 35.28 | |
34 | 34.19 | 1 | s | 1 | 65 | 34.19 | |
35 | 34.09 | 1 | s | 1 | 75 | 34.09 | |
36 | 32.90 | 1 | s | 1 | 56 | 32.90 | |
37 | 30.55 | 1 | s | 1 | 73 | 30.55 | |
38 | 29.30 | 1 | s | 1 | 47 | 29.30 | |
39 | 25.47 | 1 | s | 1 | 55 | 25.47 | |
40 | 22.30 | 1 | s | 1 | 74 | 22.30 | |
41 | 21.28 | 1 | s | 1 | 3 | 21.28 | |
42 | 21.28 | 1 | s | 1 | 1 | 21.28 |
Experimental Conditions
Solvent: | D2O |
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Nucleus: | 13C |
Frequency: | 500 MHz |
Documentation
Document Description | Download | File Size |
---|---|---|
Peak List (TXT) | Download file | 1.94 KB |
Peak Assignments (TXT) | Download file | 2.12 KB |
Spectra Image with Peak Assignments | Not Available | Not Available |
Raw Spectrum Image | Not Available | Not Available |
nmrML File (NMRML) | Download file | 574 KB |
JCAMP-DX File (JDX) | Download file | 90.3 KB |
Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
Validation Report | Not Available | Not Available |
References
Not Available