Record Information |
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Version | 2.0 |
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Created at | 2022-09-10 01:35:18 UTC |
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Updated at | 2022-09-10 01:35:19 UTC |
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NP-MRD ID | NP0293532 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 13-{[(z,5z)-4-methoxy-1h-[2,2'-bipyrrolyliden]-5-ylidene]methyl}-2-(2-methylpropyl)-12-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene |
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Description | 13-{[(z,5z)-4-methoxy-1h-[2,2'-bipyrrolyliden]-5-ylidene]methyl}-2-(2-methylpropyl)-12-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene is found in Streptomyces griseoviridis. |
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Structure | COC1=C/C(/N\C\1=C/C1=C2C=C(CCCCCCCCC2CC(C)C)N1)=C1/C=CC=N1 InChI=1S/C27H37N3O/c1-19(2)15-20-11-8-6-4-5-7-9-12-21-16-22(20)24(29-21)17-26-27(31-3)18-25(30-26)23-13-10-14-28-23/h10,13-14,16-20,29-30H,4-9,11-12,15H2,1-3H3/b25-23+,26-17- |
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Synonyms | Not Available |
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Chemical Formula | C27H37N3O |
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Average Mass | 419.6130 Da |
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Monoisotopic Mass | 419.29366 Da |
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IUPAC Name | 13-{[(Z,5Z)-4-methoxy-1,5-dihydro-[2,2'-bipyrrolylidene]-5-ylidene]methyl}-2-(2-methylpropyl)-12-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene |
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Traditional Name | 13-{[(Z,5Z)-4-methoxy-1H-[2,2'-bipyrrolylidene]-5-ylidene]methyl}-2-(2-methylpropyl)-12-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene |
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CAS Registry Number | Not Available |
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SMILES | COC1=C/C(/N\C\1=C/C1=C2C=C(CCCCCCCCC2CC(C)C)N1)=C1/C=CC=N1 |
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InChI Identifier | InChI=1S/C27H37N3O/c1-19(2)15-20-11-8-6-4-5-7-9-12-21-16-22(20)24(29-21)17-26-27(31-3)18-25(30-26)23-13-10-14-28-23/h10,13-14,16-20,29-30H,4-9,11-12,15H2,1-3H3/b25-23+,26-17- |
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InChI Key | FZOGNJSRIPZZCX-FGAWFZRGSA-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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