Record Information |
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Version | 2.0 |
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Created at | 2022-12-24 04:00:29 UTC |
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Updated at | 2024-09-03 04:15:42 UTC |
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NP-MRD ID | NP0331420 |
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Natural Product DOI | https://doi.org/10.57994/0369 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Columbamide K |
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Description | Columbamide K was first documented in 2022 (PMID: 35761435). |
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Structure | CCCCCC[C@@H](Cl)CCCC\C=C\CCC(=O)N(C)[C@@H](COC)COC(C)=O InChI=1S/C23H42ClNO4/c1-5-6-7-12-15-21(24)16-13-10-8-9-11-14-17-23(27)25(3)22(18-28-4)19-29-20(2)26/h9,11,21-22H,5-8,10,12-19H2,1-4H3/b11-9+/t21-,22+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C23H42ClNO4 |
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Average Mass | 432.0400 Da |
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Monoisotopic Mass | 431.28024 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 | CCCCCC[C@@H](Cl)CCCC\C=C\CCC(=O)N(C)[C@@H](COC)COC(C)=O |
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InChI Identifier | InChI=1S/C23H42ClNO4/c1-5-6-7-12-15-21(24)16-13-10-8-9-11-14-17-23(27)25(3)22(18-28-4)19-29-20(2)26/h9,11,21-22H,5-8,10,12-19H2,1-4H3/b11-9+/t21-,22+/m1/s1 |
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InChI Key | KAPUMHJEPHWIEX-WFYYTSRXSA-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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H2BC NMR | [1H, 13C] NMR Spectrum (2D, 599 MHz, CDCl3, experimental) | raphael.reher@pharmazie.uni-marburg.de | Not Available | Not Available | 2024-05-12 | View Spectrum | FAILED_TO_DETECT NMR | [1H, 13C] NMR Spectrum (2D, 599 MHz, CDCl3, experimental) | raphael.reher@pharmazie.uni-marburg.de | Not Available | Not Available | 2024-05-12 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 599 MHz, CDCl3, experimental) | raphael.reher@pharmazie.uni-marburg.de | Not Available | Not Available | 2024-05-12 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 599 MHz, CDCl3, experimental) | raphael.reher@pharmazie.uni-marburg.de | Not Available | Not Available | 2024-05-12 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 599 MHz, CDCl3, experimental) | raphael.reher@pharmazie.uni-marburg.de | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | raphael.reher@pharmazie.uni-marburg.de | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 599 MHz, CDCl3, experimental) | raphael.reher@pharmazie.uni-marburg.de | Not Available | Not Available | 2024-05-12 | 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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bouillonii PNG5-198 | | |
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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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