Record Information |
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Version | 1.0 |
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Created at | 2024-02-24 08:07:20 UTC |
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Updated at | 2024-04-19 10:11:23 UTC |
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NP-MRD ID | NP0332567 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Goniolanceolatin A |
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Description | Not Available |
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Structure | [H][C@](O)([C@@]([H])(O[C@@]([H])(C1=CC=CC=C1)[C@]([H])(O)[C@]1([H])CC=CC(=O)O1)C1=CC=CC=C1)[C@]1([H])CC=CC(=O)O1 InChI=1S/C26H26O7/c27-21-15-7-13-19(31-21)23(29)25(17-9-3-1-4-10-17)33-26(18-11-5-2-6-12-18)24(30)20-14-8-16-22(28)32-20/h1-12,15-16,19-20,23-26,29-30H,13-14H2/t19-,20-,23+,24+,25-,26-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C26H26O7 |
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Average Mass | 450.4870 Da |
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Monoisotopic Mass | 450.16785 Da |
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IUPAC Name | (6S)-6-[(1R,2S)-1-hydroxy-2-[(1S,2R)-2-hydroxy-2-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-5,6-dihydro-2H-pyran-2-one |
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Traditional Name | (6S)-6-[(1R,2S)-1-hydroxy-2-[(1S,2R)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-5,6-dihydropyran-2-one |
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CAS Registry Number | Not Available |
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SMILES | [H][C@](O)([C@@]([H])(O[C@@]([H])(C1=CC=CC=C1)[C@]([H])(O)[C@]1([H])CC=CC(=O)O1)C1=CC=CC=C1)[C@]1([H])CC=CC(=O)O1 |
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InChI Identifier | InChI=1S/C26H26O7/c27-21-15-7-13-19(31-21)23(29)25(17-9-3-1-4-10-17)33-26(18-11-5-2-6-12-18)24(30)20-14-8-16-22(28)32-20/h1-12,15-16,19-20,23-26,29-30H,13-14H2/t19-,20-,23+,24+,25-,26-/m0/s1 |
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InChI Key | FFAHIROHRBNAFE-YTJMWAPESA-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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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 | 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 | HSQC 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 | 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 | 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 | 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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