Record Information |
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Version | 2.0 |
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Created at | 2022-09-05 20:23:47 UTC |
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Updated at | 2022-09-05 20:23:47 UTC |
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NP-MRD ID | NP0219417 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | n-{[(5e)-8,11-bis(prop-2-en-1-yl)-1,7-diazatetracyclo[7.2.1.0²,⁷.0⁶,¹¹]dodecan-5-ylidene]methyl}ethanimidic acid |
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Description | Not Available |
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Structure | CC(O)=N\C=C1/CCC2N3CC4CC3(CC=C)C1N2C4CC=C InChI=1S/C19H27N3O/c1-4-6-16-15-10-19(9-5-2)18-14(11-20-13(3)23)7-8-17(22(16)18)21(19)12-15/h4-5,11,15-18H,1-2,6-10,12H2,3H3,(H,20,23)/b14-11+ |
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Synonyms | Not Available |
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Chemical Formula | C19H27N3O |
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Average Mass | 313.4450 Da |
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Monoisotopic Mass | 313.21541 Da |
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IUPAC Name | N-{[(5E)-8,11-bis(prop-2-en-1-yl)-1,7-diazatetracyclo[7.2.1.0^{2,7}.0^{6,11}]dodecan-5-ylidene]methyl}ethanimidic acid |
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Traditional Name | N-{[(5E)-8,11-bis(prop-2-en-1-yl)-1,7-diazatetracyclo[7.2.1.0^{2,7}.0^{6,11}]dodecan-5-ylidene]methyl}ethanimidic acid |
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CAS Registry Number | Not Available |
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SMILES | CC(O)=N\C=C1/CCC2N3CC4CC3(CC=C)C1N2C4CC=C |
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InChI Identifier | InChI=1S/C19H27N3O/c1-4-6-16-15-10-19(9-5-2)18-14(11-20-13(3)23)7-8-17(22(16)18)21(19)12-15/h4-5,11,15-18H,1-2,6-10,12H2,3H3,(H,20,23)/b14-11+ |
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InChI Key | DHXWKUGKNLHLGA-SDNWHVSQSA-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 | Not Available |
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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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