Record Information |
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Version | 2.0 |
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Created at | 2021-01-05 22:52:26 UTC |
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Updated at | 2021-07-15 17:14:46 UTC |
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NP-MRD ID | NP0013544 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 5-(2',3'-epoxy-3',3'-dimethylpropoxy)-7-methoxy-6-methylphthalide |
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Provided By | NPAtlas |
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Description | 5-(2',3'-epoxy-3',3'-dimethylpropoxy)-7-methoxy-6-methylphthalide is found in Albatrellus confluens. It was first documented in 2015 (PMID: 25465923). Based on a literature review very few articles have been published on 5-(2',3'-epoxy-3',3'-dimethylpropoxy)-7-methoxy-6-methylphthalide. |
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Structure | [H]C1=C(OC([H])([H])[C@@]2([H])OC2(C([H])([H])[H])C([H])([H])[H])C(=C(OC([H])([H])[H])C2=C1C([H])([H])OC2=O)C([H])([H])[H] InChI=1S/C15H18O5/c1-8-10(18-7-11-15(2,3)20-11)5-9-6-19-14(16)12(9)13(8)17-4/h5,11H,6-7H2,1-4H3/t11-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H18O5 |
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Average Mass | 278.3040 Da |
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Monoisotopic Mass | 278.11542 Da |
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IUPAC Name | 5-{[(2R)-3,3-dimethyloxiran-2-yl]methoxy}-7-methoxy-6-methyl-1,3-dihydro-2-benzofuran-1-one |
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Traditional Name | 5-{[(2R)-3,3-dimethyloxiran-2-yl]methoxy}-7-methoxy-6-methyl-3H-2-benzofuran-1-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=C2C(=O)OCC2=CC(OCC2OC2(C)C)=C1C |
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InChI Identifier | InChI=1S/C15H18O5/c1-8-10(18-7-11-15(2,3)20-11)5-9-6-19-14(16)12(9)13(8)17-4/h5,11H,6-7H2,1-4H3 |
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InChI Key | IGRWJIGTYFRXTD-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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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