Record Information |
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Version | 1.0 |
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Created at | 2024-04-22 17:48:55 UTC |
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Updated at | 2024-04-22 17:51:22 UTC |
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NP-MRD ID | NP0332821 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Elasnin C3 |
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Description | Not Available |
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Structure | CCCCCCC1=C(O)C(CCCC)=C(OC1=O)C(CCCC)C(=O)CCCCC InChI=1/C26H44O4/c1-5-9-13-15-18-22-24(28)21(17-12-8-4)25(30-26(22)29)20(16-11-7-3)23(27)19-14-10-6-2/h20,28H,5-19H2,1-4H3 |
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Synonyms | Not Available |
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Chemical Formula | C26H44O4 |
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Average Mass | 420.6340 Da |
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Monoisotopic Mass | 420.32396 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 | CCCCCCC1=C(O)C(CCCC)=C(OC1=O)C(CCCC)C(=O)CCCCC |
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InChI Identifier | InChI=1/C26H44O4/c1-5-9-13-15-18-22-24(28)21(17-12-8-4)25(30-26(22)29)20(16-11-7-3)23(27)19-14-10-6-2/h20,28H,5-19H2,1-4H3 |
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InChI Key | LCAMXLHQFHADOD-UHFFFAOYNA-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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COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | islam.amin@riken.jp | RIEKN | Islam Adel Abdelhakim Amin | 2024-04-22 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | islam.amin@riken.jp | RIEKN | Islam Adel Abdelhakim Amin | 2024-04-22 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | islam.amin@riken.jp | RIEKN | Islam Adel Abdelhakim Amin | 2024-04-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | islam.amin@riken.jp | RIEKN | Islam Adel Abdelhakim Amin | 2024-04-22 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | islam.amin@riken.jp | RIEKN | Islam Adel Abdelhakim Amin | 2024-04-22 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | islam.amin@riken.jp | RIEKN | Islam Adel Abdelhakim Amin | 2024-04-22 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | islam.amin@riken.jp | RIEKN | Islam Adel Abdelhakim Amin | 2024-04-22 | 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 | |
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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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