| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-07 14:39:38 UTC |
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| Updated at | 2022-09-07 14:39:38 UTC |
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| NP-MRD ID | NP0251458 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | methyl (2e,7z)-8-hydroxy-2-(1-hydroxy-2-oxopropyl)-6,9-dimethylheptadeca-2,7-dienoate |
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| Description | methyl (2e,7z)-8-hydroxy-2-(1-hydroxy-2-oxopropyl)-6,9-dimethylheptadeca-2,7-dienoate is found in Lindera communis. |
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| Structure | CCCCCCCCC(C)C(\O)=C\C(C)CC\C=C(/C(O)C(C)=O)C(=O)OC InChI=1S/C23H40O5/c1-6-7-8-9-10-11-14-18(3)21(25)16-17(2)13-12-15-20(23(27)28-5)22(26)19(4)24/h15-18,22,25-26H,6-14H2,1-5H3/b20-15+,21-16- |
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| Synonyms | Not Available |
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| Chemical Formula | C23H40O5 |
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| Average Mass | 396.5680 Da |
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| Monoisotopic Mass | 396.28757 Da |
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| IUPAC Name | methyl (2E,7Z)-8-hydroxy-2-(1-hydroxy-2-oxopropyl)-6,9-dimethylheptadeca-2,7-dienoate |
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| Traditional Name | methyl (2E,7Z)-8-hydroxy-2-(1-hydroxy-2-oxopropyl)-6,9-dimethylheptadeca-2,7-dienoate |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCCCCC(C)C(\O)=C\C(C)CC\C=C(/C(O)C(C)=O)C(=O)OC |
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| InChI Identifier | InChI=1S/C23H40O5/c1-6-7-8-9-10-11-14-18(3)21(25)16-17(2)13-12-15-20(23(27)28-5)22(26)19(4)24/h15-18,22,25-26H,6-14H2,1-5H3/b20-15+,21-16- |
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| InChI Key | XJJALIPWUKIDEJ-BEAOVJJGSA-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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| 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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