Record Information |
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Version | 1.0 |
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Created at | 2023-04-20 16:06:04 UTC |
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Updated at | 2024-05-13 01:11:11 UTC |
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NP-MRD ID | NP0331595 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | chlocyclinol C |
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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)OCC(=C)C(O)=O)C(=O)C1O[C@@H]41 InChI=1S/C26H29ClO8/c1-10(2)6-16-26-15(25(4,5)33-9-11(3)24(31)32)7-12-17(14(28)8-13(27)19(12)29)18(26)20(34-16)21-22(35-21)23(26)30/h6-8,14-18,20-22,28H,3,9H2,1-2,4-5H3,(H,31,32)/t14-,15+,16+,17-,18?,20+,21-,22?,26-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C26H29ClO8 |
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Average Mass | 504.9600 Da |
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Monoisotopic Mass | 504.15510 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)OCC(=C)C(O)=O)C(=O)C1O[C@@H]41 |
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InChI Identifier | InChI=1S/C26H29ClO8/c1-10(2)6-16-26-15(25(4,5)33-9-11(3)24(31)32)7-12-17(14(28)8-13(27)19(12)29)18(26)20(34-16)21-22(35-21)23(26)30/h6-8,14-18,20-22,28H,3,9H2,1-2,4-5H3,(H,31,32)/t14-,15+,16+,17-,18?,20+,21-,22?,26-/m0/s1 |
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InChI Key | QZZBCHMGGCCOSO-FHMJGTQRSA-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, D2O, 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, C2D6OS, 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, D2O, 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, C2D6OS, 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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