Record Information |
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Version | 2.0 |
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Created at | 2022-09-05 22:04:14 UTC |
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Updated at | 2022-09-05 22:04:14 UTC |
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NP-MRD ID | NP0220687 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2e,10z)-2-[(6z)-pentadec-6-en-1-yl]nonadeca-2,10-dienal |
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Description | (2E,10Z)-2-[(6Z)-pentadec-6-en-1-yl]nonadeca-2,10-dienal belongs to the class of organic compounds known as fatty aldehydes. These are long chain aldehydes with a chain of at least 12 carbon atoms. Based on a literature review very few articles have been published on (2E,10Z)-2-[(6Z)-pentadec-6-en-1-yl]nonadeca-2,10-dienal. |
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Structure | CCCCCCCC\C=C/CCCCCC\C=C(/CCCCC\C=C/CCCCCCCC)C=O InChI=1S/C34H62O/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-34(33-35)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-19,21,32-33H,3-16,20,22-31H2,1-2H3/b18-17-,21-19-,34-32+ |
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Synonyms | Not Available |
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Chemical Formula | C34H62O |
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Average Mass | 486.8690 Da |
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Monoisotopic Mass | 486.48007 Da |
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IUPAC Name | (2E,10Z)-2-[(6Z)-pentadec-6-en-1-yl]nonadeca-2,10-dienal |
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Traditional Name | (2E,10Z)-2-[(6Z)-pentadec-6-en-1-yl]nonadeca-2,10-dienal |
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CAS Registry Number | Not Available |
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SMILES | CCCCCCCC\C=C/CCCCCC\C=C(/CCCCC\C=C/CCCCCCCC)C=O |
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InChI Identifier | InChI=1S/C34H62O/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-34(33-35)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-19,21,32-33H,3-16,20,22-31H2,1-2H3/b18-17-,21-19-,34-32+ |
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InChI Key | MYFWKHCLOLRMPF-MOGZYGRBSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as fatty aldehydes. These are long chain aldehydes with a chain of at least 12 carbon atoms. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty aldehydes |
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Direct Parent | Fatty aldehydes |
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Alternative Parents | |
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Substituents | - Fatty aldehyde
- Enal
- Alpha,beta-unsaturated aldehyde
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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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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