Record Information |
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Version | 1.0 |
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Created at | 2024-01-04 12:07:35 UTC |
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Updated at | 2024-09-03 04:18:50 UTC |
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NP-MRD ID | NP0332333 |
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DOI | https://doi.org/10.57994/1535 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-eburnamenine N-oxide |
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Description | Not Available |
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Structure | [H][C@@]12C3=C4CC[N+]1([O-])CCC[C@]2(CC)C=CN3C1=CC=CC=C41 InChI=1S/C19H22N2O/c1-2-19-9-5-12-21(22)13-8-15-14-6-3-4-7-16(14)20(11-10-19)17(15)18(19)21/h3-4,6-7,10-11,18H,2,5,8-9,12-13H2,1H3/t18-,19+,21?/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C19H22N2O |
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Average Mass | 294.3980 Da |
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Monoisotopic Mass | 294.17321 Da |
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IUPAC Name | (15R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.0^{2,7}.0^{8,18}.0^{15,19}]nonadeca-2,4,6,8(18),16-pentaen-11-ium-11-olate |
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Traditional Name | (15R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.0^{2,7}.0^{8,18}.0^{15,19}]nonadeca-2,4,6,8(18),16-pentaen-11-ium-11-olate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]12C3=C4CC[N+]1([O-])CCC[C@]2(CC)C=CN3C1=CC=CC=C41 |
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InChI Identifier | InChI=1S/C19H22N2O/c1-2-19-9-5-12-21(22)13-8-15-14-6-3-4-7-16(14)20(11-10-19)17(15)18(19)21/h3-4,6-7,10-11,18H,2,5,8-9,12-13H2,1H3/t18-,19+,21?/m0/s1 |
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InChI Key | ZEQJZDNETKHVAA-KTVLMBSMSA-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, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-01-04 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-01-04 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-01-04 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-01-04 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-01-04 | 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, 600.13300065, CDCl3, simulated) | yylow@um.edu.my | Department of Chemistry, Faculty of Science, Universiti Malaya | Yun-Yee Low | 2024-05-14 | View Spectrum |
| 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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