Record Information |
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Version | 1.0 |
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Created at | 2023-09-27 04:01:12 UTC |
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Updated at | 2024-04-19 09:54:44 UTC |
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NP-MRD ID | NP0331886 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | geranylgeranyl-triacetate lactone carboxylic acid |
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Description | Not Available |
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Structure | C\C(CC\C=C(/C)CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC1=C(O)C=C(C)OC1=O InChI=1S/C26H36O5/c1-18(9-6-10-19(2)13-8-14-21(4)25(28)29)11-7-12-20(3)15-16-23-24(27)17-22(5)31-26(23)30/h10-11,14-15,17,27H,6-9,12-13,16H2,1-5H3,(H,28,29)/b18-11+,19-10+,20-15+,21-14+ |
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Synonyms | Not Available |
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Chemical Formula | C26H36O5 |
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Average Mass | 428.5690 Da |
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Monoisotopic Mass | 428.25627 Da |
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IUPAC Name | (2E,6E,10E,14E)-16-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid |
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Traditional Name | (2E,6E,10E,14E)-16-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid |
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CAS Registry Number | Not Available |
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SMILES | C\C(CC\C=C(/C)CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC1=C(O)C=C(C)OC1=O |
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InChI Identifier | InChI=1S/C26H36O5/c1-18(9-6-10-19(2)13-8-14-21(4)25(28)29)11-7-12-20(3)15-16-23-24(27)17-22(5)31-26(23)30/h10-11,14-15,17,27H,6-9,12-13,16H2,1-5H3,(H,28,29)/b18-11+,19-10+,20-15+,21-14+ |
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InChI Key | IVNRWLIRZKNJJG-MBJWKAJASA-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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NOESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 101 MHz, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | 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 | Not Available |
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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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