Record Information |
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Version | 2.0 |
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Created at | 2022-09-12 11:14:25 UTC |
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Updated at | 2022-09-12 11:14:26 UTC |
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NP-MRD ID | NP0328087 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (15z)-15-ethylidene-13-(hydroxymethyl)-6-methoxy-3,17-diazapentacyclo[12.3.1.0²,¹¹.0⁴,⁹.0¹²,¹⁷]octadeca-2(11),4,6,8-tetraen-10-one |
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Description | Not Available |
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Structure | COC1=CC=C2C(NC3=C(C4C(CO)C5CC3N4C\C5=C/C)C2=O)=C1 InChI=1S/C20H22N2O3/c1-3-10-8-22-16-7-13(10)14(9-23)19(22)17-18(16)21-15-6-11(25-2)4-5-12(15)20(17)24/h3-6,13-14,16,19,23H,7-9H2,1-2H3,(H,21,24)/b10-3+ |
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Synonyms | Not Available |
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Chemical Formula | C20H22N2O3 |
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Average Mass | 338.4070 Da |
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Monoisotopic Mass | 338.16304 Da |
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IUPAC Name | (15Z)-15-ethylidene-13-(hydroxymethyl)-6-methoxy-3,17-diazapentacyclo[12.3.1.0^{2,11}.0^{4,9}.0^{12,17}]octadeca-2(11),4,6,8-tetraen-10-one |
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Traditional Name | (15Z)-15-ethylidene-13-(hydroxymethyl)-6-methoxy-3,17-diazapentacyclo[12.3.1.0^{2,11}.0^{4,9}.0^{12,17}]octadeca-2(11),4,6,8-tetraen-10-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC=C2C(NC3=C(C4C(CO)C5CC3N4C\C5=C/C)C2=O)=C1 |
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InChI Identifier | InChI=1S/C20H22N2O3/c1-3-10-8-22-16-7-13(10)14(9-23)19(22)17-18(16)21-15-6-11(25-2)4-5-12(15)20(17)24/h3-6,13-14,16,19,23H,7-9H2,1-2H3,(H,21,24)/b10-3+ |
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InChI Key | LFEQVRBZNMACRO-XCVCLJGOSA-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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