Record Information |
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Version | 1.0 |
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Created at | 2022-12-23 08:35:09 UTC |
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Updated at | 2024-04-19 09:39:32 UTC |
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NP-MRD ID | NP0331386 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Acetoxytongalide C |
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Description | Not Available |
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Structure | CCC[C@@H](OC(C)=O)C1=C(Br)C(O)(CI)OC1=O InChI=1S/C11H14BrIO5/c1-3-4-7(17-6(2)14)8-9(12)11(16,5-13)18-10(8)15/h7,16H,3-5H2,1-2H3/t7-,11?/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C11H14BrIO5 |
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Average Mass | 433.0360 Da |
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Monoisotopic Mass | 431.90693 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 | CCC[C@@H](OC(C)=O)C1=C(Br)C(O)(CI)OC1=O |
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InChI Identifier | InChI=1S/C11H14BrIO5/c1-3-4-7(17-6(2)14)8-9(12)11(16,5-13)18-10(8)15/h7,16H,3-5H2,1-2H3/t7-,11?/m1/s1 |
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InChI Key | WQMOEWNETYQPFN-DKSCNQEISA-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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HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | joe_bracegirdle@live.com | Not Available | Not Available | 2022-12-23 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | joe_bracegirdle@live.com | Not Available | Not Available | 2022-12-23 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | joe_bracegirdle@live.com | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | joe_bracegirdle@live.com | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CD3OD, experimental) | joe_bracegirdle@live.com | Not Available | Not Available | 2022-12-23 | 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 | Not Available |
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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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