Record Information |
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Version | 2.0 |
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Created at | 2024-09-25 01:47:54 UTC |
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Updated at | 2024-09-27 09:01:04 UTC |
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NP-MRD ID | NP0341839 |
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Natural Product DOI | https://doi.org/10.57994/3325 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 8-(2-hydroxy-3,4-dimethyl-5-oxo-2,5-dihydrofuran-2-yl) octanoic acid ethyl ester |
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Description | Based on a literature review very few articles have been published on 8-(2-hydroxy-3,4-dimethyl-5-oxo-2,5-dihydrofuran-2-yl) octanoic acid ethyl ester. |
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Structure | CCOC(=O)CCCCCCC[C@@]1(O)OC(=O)C(C)=C1C InChI=1S/C16H26O5/c1-4-20-14(17)10-8-6-5-7-9-11-16(19)13(3)12(2)15(18)21-16/h19H,4-11H2,1-3H3/t16-/m1/s1 |
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Synonyms | Value | Source |
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8-(2-Hydroxy-3,4-dimethyl-5-oxo-2,5-dihydrofuran-2-yl) octanoate ethyl ester | Generator |
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Chemical Formula | C16H26O5 |
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Average Mass | 298.3790 Da |
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Monoisotopic Mass | 298.17802 Da |
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IUPAC Name | ethyl 8-[(2R)-2-hydroxy-3,4-dimethyl-5-oxo-2,5-dihydrofuran-2-yl]octanoate |
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Traditional Name | ethyl 8-[(2R)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]octanoate |
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CAS Registry Number | Not Available |
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SMILES | CCOC(=O)CCCCCCC[C@@]1(O)OC(=O)C(C)=C1C |
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InChI Identifier | InChI=1S/C16H26O5/c1-4-20-14(17)10-8-6-5-7-9-11-16(19)13(3)12(2)15(18)21-16/h19H,4-11H2,1-3H3/t16-/m1/s1 |
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InChI Key | WGRCQGOJLADZRW-MRXNPFEDSA-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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HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | 137826931@qq.com | Shandong Traditional Chinese Medicine University | Yongqing Zhang | 2024-09-25 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | 137826931@qq.com | Shandong Traditional Chinese Medicine University | Yongqing Zhang | 2024-09-25 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | 137826931@qq.com | Shandong Traditional Chinese Medicine University | Yongqing Zhang | 2024-09-25 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | 137826931@qq.com | Shandong Traditional Chinese Medicine University | Yongqing Zhang | 2024-09-25 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 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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sinense | | |
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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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General References | - Qi SZ, Qin GF, Miao S, Lv WY, Ren SQ, Gong KK, Zhang YQ, Du J: Chemical Constituents from the Whole Plants of Limonium sinense and Their in vitro Anti-inflammatory Activity. Chem Biodivers. 2024 Sep 6:e202401514. doi: 10.1002/cbdv.202401514. [PubMed:39242337 ]
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