Record Information |
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Version | 1.0 |
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Created at | 2023-04-24 20:05:10 UTC |
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Updated at | 2024-04-19 09:47:19 UTC |
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NP-MRD ID | NP0331602 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | panepocyclinol F |
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Description | Not Available |
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Structure | [H][C@]12C=C3C(=O)[C@H](OC(C)=O)[C@@H](O)[C@H](O)[C@@]3([H])[C@]3([H])[C@@H](O)[C@@H]4O[C@@H]4C(=O)[C@]13[C@@H](OC2(C)C)C=C(C)C InChI=1S/C24H30O9/c1-8(2)6-12-24-11(23(4,5)33-12)7-10-13(14(24)17(28)20-21(32-20)22(24)30)16(27)18(29)19(15(10)26)31-9(3)25/h6-7,11-14,16-21,27-29H,1-5H3/t11-,12+,13-,14-,16-,17-,18+,19+,20+,21+,24+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C24H30O9 |
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Average Mass | 462.4950 Da |
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Monoisotopic Mass | 462.18898 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 | [H][C@]12C=C3C(=O)[C@H](OC(C)=O)[C@@H](O)[C@H](O)[C@@]3([H])[C@]3([H])[C@@H](O)[C@@H]4O[C@@H]4C(=O)[C@]13[C@@H](OC2(C)C)C=C(C)C |
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InChI Identifier | InChI=1S/C24H30O9/c1-8(2)6-12-24-11(23(4,5)33-12)7-10-13(14(24)17(28)20-21(32-20)22(24)30)16(27)18(29)19(15(10)26)31-9(3)25/h6-7,11-14,16-21,27-29H,1-5H3/t11-,12+,13-,14-,16-,17-,18+,19+,20+,21+,24+/m1/s1 |
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InChI Key | WQKKDLGTEHSXHK-DROUQYBKSA-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, C3D6O, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, C3D6O, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, C3D6O, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, C3D6O, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C3D6O, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.13 MHz, C3D6O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150.92 MHz, C3D6O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150.92 MHz, C3D6O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150.92 MHz, C3D6O, 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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