Record Information |
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Version | 1.0 |
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Created at | 2023-10-31 20:08:10 UTC |
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Updated at | 2024-05-11 13:24:20 UTC |
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NP-MRD ID | NP0332059 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Polyneurine A |
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Description | Not Available |
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Structure | [H][C@]12N3C[C@]4([H])C[C@@]1(C)OC(=O)[C@]2(C4)C1=C(CC3)C2=CC=CC=C2N1 InChI=1S/C19H20N2O2/c1-18-8-11-9-19(17(22)23-18)15-13(6-7-21(10-11)16(18)19)12-4-2-3-5-14(12)20-15/h2-5,11,16,20H,6-10H2,1H3/t11-,16+,18+,19-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C19H20N2O2 |
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Average Mass | 308.3810 Da |
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Monoisotopic Mass | 308.15248 Da |
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IUPAC Name | (1S,15S,17R,20R)-17-methyl-18-oxa-3,13-diazahexacyclo[11.6.1.1^{1,15}.0^{2,10}.0^{4,9}.0^{17,20}]henicosa-2(10),4,6,8-tetraen-19-one |
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Traditional Name | (1S,15S,17R,20R)-17-methyl-18-oxa-3,13-diazahexacyclo[11.6.1.1^{1,15}.0^{2,10}.0^{4,9}.0^{17,20}]henicosa-2(10),4,6,8-tetraen-19-one |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12N3C[C@]4([H])C[C@@]1(C)OC(=O)[C@]2(C4)C1=C(CC3)C2=CC=CC=C2N1 |
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InChI Identifier | InChI=1S/C19H20N2O2/c1-18-8-11-9-19(17(22)23-18)15-13(6-7-21(10-11)16(18)19)12-4-2-3-5-14(12)20-15/h2-5,11,16,20H,6-10H2,1H3/t11-,16+,18+,19-/m1/s1 |
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InChI Key | XWQDMXUSRBBDSJ-PFMQWVDZSA-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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1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | yylow@um.edu.my | Department of Chemistry, Faculty of Science, Universiti Malaya | Yun-Yee Low | 2024-05-11 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Department of Chemistry, Faculty of Science, Universiti Malaya | Yun-Yee Low | 2023-10-31 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Department of Chemistry, Faculty of Science, Universiti Malaya | Yun-Yee Low | 2023-10-31 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Department of Chemistry, Faculty of Science, Universiti Malaya | Yun-Yee Low | 2023-10-31 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Department of Chemistry, Faculty of Science, Universiti Malaya | Yun-Yee Low | 2023-10-31 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | yylow@um.edu.my | Department of Chemistry, Faculty of Science, Universiti Malaya | Yun-Yee Low | 2023-10-31 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Department of Chemistry, Faculty of Science, Universiti Malaya | Yun-Yee Low | 2023-10-31 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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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