Record Information |
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Version | 1.0 |
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Created at | 2023-04-24 20:17:46 UTC |
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Updated at | 2024-04-19 09:47:28 UTC |
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NP-MRD ID | NP0331606 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | panepocyclinol B |
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Description | Not Available |
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Structure | [H][C@]12C=C3C(=O)C(OC)=C[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/C23H28O7/c1-9(2)6-14-23-13(22(3,4)30-14)7-10-15(11(24)8-12(28-5)17(10)25)16(23)18(26)19-20(29-19)21(23)27/h6-8,11,13-16,18-20,24,26H,1-5H3/t11-,13+,14-,15-,16+,18+,19-,20-,23-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C23H28O7 |
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Average Mass | 416.4700 Da |
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Monoisotopic Mass | 416.18350 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(OC)=C[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/C23H28O7/c1-9(2)6-14-23-13(22(3,4)30-14)7-10-15(11(24)8-12(28-5)17(10)25)16(23)18(26)19-20(29-19)21(23)27/h6-8,11,13-16,18-20,24,26H,1-5H3/t11-,13+,14-,15-,16+,18+,19-,20-,23-/m0/s1 |
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InChI Key | UJNKEWKZSIKWGU-BRSASUPKSA-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) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-24 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.13 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150.92 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150.92 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150.92 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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