Record Information |
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Version | 1.0 |
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Created at | 2023-09-27 00:56:46 UTC |
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Updated at | 2024-05-11 00:25:17 UTC |
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NP-MRD ID | NP0331878 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Ormosianine E |
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Description | Not Available |
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Structure | O[C@@H]1CC[C@]2(O)[C@H]3C[C@@H](CN2C1=O)C(=O)N(CCC=C)C3 InChI=1S/C15H22N2O4/c1-2-3-6-16-9-11-7-10(13(16)19)8-17-14(20)12(18)4-5-15(11,17)21/h2,10-12,18,21H,1,3-9H2/t10-,11-,12+,15-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H22N2O4 |
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Average Mass | 294.3510 Da |
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Monoisotopic Mass | 294.15796 Da |
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IUPAC Name | (1S,2S,5R,9S)-11-(but-3-en-1-yl)-2,5-dihydroxy-7,11-diazatricyclo[7.3.1.0^{2,7}]tridecane-6,10-dione |
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Traditional Name | (1S,2S,5R,9S)-11-(but-3-en-1-yl)-2,5-dihydroxy-7,11-diazatricyclo[7.3.1.0^{2,7}]tridecane-6,10-dione |
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CAS Registry Number | Not Available |
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SMILES | O[C@@H]1CC[C@]2(O)[C@H]3C[C@@H](CN2C1=O)C(=O)N(CCC=C)C3 |
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InChI Identifier | InChI=1S/C15H22N2O4/c1-2-3-6-16-9-11-7-10(13(16)19)8-17-14(20)12(18)4-5-15(11,17)21/h2,10-12,18,21H,1,3-9H2/t10-,11-,12+,15-/m0/s1 |
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InChI Key | YJADUTRRKWBJON-OHTBPHCPSA-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 NMR | [13C, ] NMR Spectrum (2D, 101 MHz, CD3OD, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 101 MHz, CD3OD, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 126 MHz, CD3OD, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 101 MHz, CD3OD, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 126 MHz, CD3OD, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | jinqiong@mail.kib.ac.cn | Not Available | Not Available | 2023-09-27 | 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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