Record Information |
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Version | 1.0 |
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Created at | 2024-02-24 08:04:54 UTC |
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Updated at | 2024-05-02 04:20:34 UTC |
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NP-MRD ID | NP0332566 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-Dexygoniopypyrone B |
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Description | Not Available |
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Structure | [H]C1([H])[C@]2([H])CC(=O)OC1([H])[C@]([H])(O)[C@]([H])(O2)C1=CC=CC=C1 InChI=1S/C13H14O4/c14-11-7-9-6-10(17-11)12(15)13(16-9)8-4-2-1-3-5-8/h1-5,9-10,12-13,15H,6-7H2/t9-,10?,12+,13-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C13H14O4 |
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Average Mass | 234.2510 Da |
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Monoisotopic Mass | 234.08921 Da |
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IUPAC Name | (5R,7R,8S)-8-hydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one |
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Traditional Name | (5R,7R,8S)-8-hydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one |
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CAS Registry Number | Not Available |
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SMILES | [H]C1([H])[C@]2([H])CC(=O)OC1([H])[C@]([H])(O)[C@]([H])(O2)C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C13H14O4/c14-11-7-9-6-10(17-11)12(15)13(16-9)8-4-2-1-3-5-8/h1-5,9-10,12-13,15H,6-7H2/t9-,10?,12+,13-/m1/s1 |
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InChI Key | ZPVLUTBGTWEMGV-HHPMFDKESA-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) | Not Available | Atta-ur-Rahman Institute for Natural Products Universiti Teknologi Mara (UiTM) | Nor Nadirah Binti Abdullah | 2024-05-02 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | Not Available | Atta-ur-Rahman Institute for Natural Products Universiti Teknologi Mara (UiTM) | Nor Nadirah Binti Abdullah | 2024-02-24 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | Not Available | Atta-ur-Rahman Institute for Natural Products Universiti Teknologi Mara (UiTM) | Nor Nadirah Binti Abdullah | 2024-02-24 | View Spectrum | HMQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | Not Available | Atta-ur-Rahman Institute for Natural Products Universiti Teknologi Mara (UiTM) | Nor Nadirah Binti Abdullah | 2024-02-24 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | Not Available | Atta-ur-Rahman Institute for Natural Products Universiti Teknologi Mara (UiTM) | Nor Nadirah Binti Abdullah | 2024-02-24 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | Not Available | Atta-ur-Rahman Institute for Natural Products Universiti Teknologi Mara (UiTM) | Nor Nadirah Binti Abdullah | 2024-02-24 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | Not Available | Atta-ur-Rahman Institute for Natural Products Universiti Teknologi Mara (UiTM) | Nor Nadirah Binti Abdullah | 2024-02-24 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | Not Available | Atta-ur-Rahman Institute for Natural Products Universiti Teknologi Mara (UiTM) | Nor Nadirah Binti Abdullah | 2024-02-24 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.303707098 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.303707098 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150.960648904 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | 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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