Record Information |
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Version | 1.0 |
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Created at | 2023-01-17 20:01:35 UTC |
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Updated at | 2024-05-13 01:14:30 UTC |
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NP-MRD ID | NP0331465 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (-)-Cochlearin K |
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Description | Not Available |
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Structure | CC(C)=CCC[C@@](C)(O)\C=C\C=C(/CC(=O)C1=C(O)C=CC(O)=C1)C(O)=O InChI=1S/C21H26O6/c1-14(2)6-4-10-21(3,27)11-5-7-15(20(25)26)12-19(24)17-13-16(22)8-9-18(17)23/h5-9,11,13,22-23,27H,4,10,12H2,1-3H3,(H,25,26)/b11-5+,15-7+/t21-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C21H26O6 |
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Average Mass | 374.4330 Da |
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Monoisotopic Mass | 374.17294 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | CC(C)=CCC[C@@](C)(O)\C=C\C=C(/CC(=O)C1=C(O)C=CC(O)=C1)C(O)=O |
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InChI Identifier | InChI=1S/C21H26O6/c1-14(2)6-4-10-21(3,27)11-5-7-15(20(25)26)12-19(24)17-13-16(22)8-9-18(17)23/h5-9,11,13,22-23,27H,4,10,12H2,1-3H3,(H,25,26)/b11-5+,15-7+/t21-/m1/s1 |
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InChI Key | WDCJVQBZRHBDTL-POZNWELVSA-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, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | 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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