Record Information |
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Version | 1.0 |
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Created at | 2023-04-20 16:00:29 UTC |
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Updated at | 2024-05-13 01:11:08 UTC |
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NP-MRD ID | NP0331593 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | chlocyclinol B |
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Description | Not Available |
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Structure | [H][C@]12C3[C@H]4O[C@H](C=C(C)C)[C@]3([C@H](C=C1C(=O)C(Cl)=C[C@@H]2O)C(C)(C)OCCCC)C(=O)C1O[C@@H]41 InChI=1S/C26H33ClO6/c1-6-7-8-31-25(4,5)16-10-13-18(15(28)11-14(27)20(13)29)19-21-22-23(33-22)24(30)26(16,19)17(32-21)9-12(2)3/h9-11,15-19,21-23,28H,6-8H2,1-5H3/t15-,16+,17+,18-,19?,21+,22-,23?,26-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C26H33ClO6 |
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Average Mass | 476.9900 Da |
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Monoisotopic Mass | 476.19657 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@]12C3[C@H]4O[C@H](C=C(C)C)[C@]3([C@H](C=C1C(=O)C(Cl)=C[C@@H]2O)C(C)(C)OCCCC)C(=O)C1O[C@@H]41 |
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InChI Identifier | InChI=1S/C26H33ClO6/c1-6-7-8-31-25(4,5)16-10-13-18(15(28)11-14(27)20(13)29)19-21-22-23(33-22)24(30)26(16,19)17(32-21)9-12(2)3/h9-11,15-19,21-23,28H,6-8H2,1-5H3/t15-,16+,17+,18-,19?,21+,22-,23?,26-/m0/s1 |
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InChI Key | AESVSXHJDBZKTP-OUBMENDQSA-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 | 2023-04-20 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-20 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-20 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-20 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-20 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-20 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-20 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-20 | 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 | 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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