Record Information |
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Version | 1.0 |
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Created at | 2022-09-07 21:05:10 UTC |
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Updated at | 2022-09-07 21:05:10 UTC |
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NP-MRD ID | NP0256308 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2e,4e)-n-(2-methylpropyl)-12-oxooctadeca-2,4-dienimidic acid |
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Description | (2e,4e)-n-(2-methylpropyl)-12-oxooctadeca-2,4-dienimidic acid is found in Achillea chamaemelifolia. |
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Structure | CCCCCCC(=O)CCCCCC\C=C\C=C\C(O)=NCC(C)C InChI=1S/C22H39NO2/c1-4-5-6-13-16-21(24)17-14-11-9-7-8-10-12-15-18-22(25)23-19-20(2)3/h10,12,15,18,20H,4-9,11,13-14,16-17,19H2,1-3H3,(H,23,25)/b12-10+,18-15+ |
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Synonyms | Not Available |
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Chemical Formula | C22H39NO2 |
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Average Mass | 349.5590 Da |
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Monoisotopic Mass | 349.29808 Da |
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IUPAC Name | (2E,4E)-N-(2-methylpropyl)-12-oxooctadeca-2,4-dienimidic acid |
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Traditional Name | (2E,4E)-N-(2-methylpropyl)-12-oxooctadeca-2,4-dienimidic acid |
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CAS Registry Number | Not Available |
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SMILES | CCCCCCC(=O)CCCCCC\C=C\C=C\C(O)=NCC(C)C |
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InChI Identifier | InChI=1S/C22H39NO2/c1-4-5-6-13-16-21(24)17-14-11-9-7-8-10-12-15-18-22(25)23-19-20(2)3/h10,12,15,18,20H,4-9,11,13-14,16-17,19H2,1-3H3,(H,23,25)/b12-10+,18-15+ |
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InChI Key | JRGUHFYJVNNNIQ-IZAPIVEJSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Classification | Not classified |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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