Record Information |
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Version | 2.0 |
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Created at | 2022-09-05 08:16:41 UTC |
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Updated at | 2022-09-05 08:16:41 UTC |
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NP-MRD ID | NP0210455 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-en-1-yl)octa-2,6-dienoic acid |
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Description | 8-(Furan-3-yl)-6-methyl-2-(4-methylpent-3-en-1-yl)octa-2,6-dienoic acid belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-en-1-yl)octa-2,6-dienoic acid is found in Plagiocheilus bogotensis. Based on a literature review very few articles have been published on 8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-en-1-yl)octa-2,6-dienoic acid. |
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Structure | CC(C)=CCCC(=CCCC(C)=CCC1=COC=C1)C(O)=O InChI=1S/C19H26O3/c1-15(2)6-4-8-18(19(20)21)9-5-7-16(3)10-11-17-12-13-22-14-17/h6,9-10,12-14H,4-5,7-8,11H2,1-3H3,(H,20,21) |
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Synonyms | Value | Source |
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8-(Furan-3-yl)-6-methyl-2-(4-methylpent-3-en-1-yl)octa-2,6-dienoate | Generator |
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Chemical Formula | C19H26O3 |
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Average Mass | 302.4140 Da |
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Monoisotopic Mass | 302.18819 Da |
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IUPAC Name | 8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-en-1-yl)octa-2,6-dienoic acid |
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Traditional Name | 8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-en-1-yl)octa-2,6-dienoic acid |
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CAS Registry Number | Not Available |
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SMILES | CC(C)=CCCC(=CCCC(C)=CCC1=COC=C1)C(O)=O |
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InChI Identifier | InChI=1S/C19H26O3/c1-15(2)6-4-8-18(19(20)21)9-5-7-16(3)10-11-17-12-13-22-14-17/h6,9-10,12-14H,4-5,7-8,11H2,1-3H3,(H,20,21) |
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InChI Key | JHNOTXHIYSVYSU-UHFFFAOYSA-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 | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Sesquiterpenoids |
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Direct Parent | Sesquiterpenoids |
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Alternative Parents | |
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Substituents | - Sesquiterpenoid
- Farsesane sesquiterpenoid
- Medium-chain fatty acid
- Branched fatty acid
- Heterocyclic fatty acid
- Methyl-branched fatty acid
- Unsaturated fatty acid
- Fatty acyl
- Fatty acid
- Heteroaromatic compound
- Furan
- Oxacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic 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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