Record Information |
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Version | 1.0 |
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Created at | 2023-04-24 20:00:22 UTC |
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Updated at | 2024-05-13 01:11:55 UTC |
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NP-MRD ID | NP0331600 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | panepocyclinol H |
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Description | Not Available |
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Structure | [H][C@]12C=C3C(=O)[C@H]4O[C@H]4[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/C22H26O7/c1-7(2)5-10-22-9(21(3,4)29-10)6-8-11(14(24)17-16(27-17)13(8)23)12(22)15(25)18-19(28-18)20(22)26/h5-6,9-12,14-19,24-25H,1-4H3/t9-,10+,11-,12-,14-,15-,16-,17+,18+,19+,22+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C22H26O7 |
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Average Mass | 402.4430 Da |
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Monoisotopic Mass | 402.16785 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]4O[C@H]4[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/C22H26O7/c1-7(2)5-10-22-9(21(3,4)29-10)6-8-11(14(24)17-16(27-17)13(8)23)12(22)15(25)18-19(28-18)20(22)26/h5-6,9-12,14-19,24-25H,1-4H3/t9-,10+,11-,12-,14-,15-,16-,17+,18+,19+,22+/m1/s1 |
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InChI Key | FTBINUYQLWVWPV-URKQJMLYSA-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 | 2024-05-11 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 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 |
| 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 | Species Name | Source | Reference |
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rudis | | |
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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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