Record Information |
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Version | 1.0 |
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Created at | 2024-01-04 12:18:47 UTC |
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Updated at | 2024-09-03 04:18:51 UTC |
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NP-MRD ID | NP0332338 |
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DOI | https://doi.org/10.57994/1540 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Eugeniinaline A |
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Description | Not Available |
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Structure | [H][C@]12C[N@+]3([O-])CCC[C@]4(CC)CC[C@@]1(O)NC1=CC=CC=C1[C@@]2(O)[C@]34[H] InChI=1S/C19H26N2O3/c1-2-17-8-5-11-21(24)12-15-18(22,10-9-17)20-14-7-4-3-6-13(14)19(15,23)16(17)21/h3-4,6-7,15-16,20,22-23H,2,5,8-12H2,1H3/t15-,16+,17+,18-,19-,21+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C19H26N2O3 |
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Average Mass | 330.4280 Da |
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Monoisotopic Mass | 330.19434 Da |
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IUPAC Name | (1R,9S,12R,16R,18R,19R)-12-ethyl-1,9-dihydroxy-8,16-diazapentacyclo[10.6.1.0^{2,7}.0^{9,18}.0^{16,19}]nonadeca-2,4,6-trien-16-ium-16-olate |
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Traditional Name | (1R,9S,12R,16R,18R,19R)-12-ethyl-1,9-dihydroxy-8,16-diazapentacyclo[10.6.1.0^{2,7}.0^{9,18}.0^{16,19}]nonadeca-2,4,6-trien-16-ium-16-olate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12C[N@+]3([O-])CCC[C@]4(CC)CC[C@@]1(O)NC1=CC=CC=C1[C@@]2(O)[C@]34[H] |
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InChI Identifier | InChI=1S/C19H26N2O3/c1-2-17-8-5-11-21(24)12-15-18(22,10-9-17)20-14-7-4-3-6-13(14)19(15,23)16(17)21/h3-4,6-7,15-16,20,22-23H,2,5,8-12H2,1H3/t15-,16+,17+,18-,19-,21+/m0/s1 |
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InChI Key | FZWAIVIZDKKPTC-UCWVGABGSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C3D6O, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, C3D6O, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, C3D6O, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, C3D6O, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 600.173706295, CD3OD, simulated) | yylow@um.edu.my | Department of Chemistry, Faculty of Science, Universiti Malaya | Yun-Yee Low | 2024-05-03 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.17300085, C3D6O, simulated) | yylow@um.edu.my | Department of Chemistry, Faculty of Science, Universiti Malaya | Yun-Yee Low | 2024-05-03 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.13300065, CDCl3, simulated) | yylow@um.edu.my | Department of Chemistry, Faculty of Science, Universiti Malaya | Yun-Yee Low | 2024-05-03 | View Spectrum |
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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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