Record Information |
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Version | 2.0 |
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Created at | 2021-01-06 02:37:49 UTC |
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Updated at | 2021-07-15 17:27:02 UTC |
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NP-MRD ID | NP0018004 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Daldinolide B |
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Provided By | NPAtlas |
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Description | Daldinolide B is found in Daldinia concentrica. It was first documented in 2018 (PMID: 29715021). Based on a literature review very few articles have been published on 3,5-dihydroxy-3-(2-hydroxy-3-methoxy-5-methylphenyl)-7-methoxy-1,3-dihydro-2-benzofuran-1-one. |
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Structure | [H]OC1=C([H])C(OC([H])([H])[H])=C2C(=O)O[C@](O[H])(C2=C1[H])C1=C(O[H])C(OC([H])([H])[H])=C([H])C(=C1[H])C([H])([H])[H] InChI=1S/C17H16O7/c1-8-4-11(15(19)13(5-8)23-3)17(21)10-6-9(18)7-12(22-2)14(10)16(20)24-17/h4-7,18-19,21H,1-3H3/t17-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C17H16O7 |
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Average Mass | 332.3080 Da |
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Monoisotopic Mass | 332.08960 Da |
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IUPAC Name | (3R)-3,5-dihydroxy-3-(2-hydroxy-3-methoxy-5-methylphenyl)-7-methoxy-1,3-dihydro-2-benzofuran-1-one |
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Traditional Name | (3R)-3,5-dihydroxy-3-(2-hydroxy-3-methoxy-5-methylphenyl)-7-methoxy-2-benzofuran-1-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=C2C(=O)OC(O)(C2=CC(O)=C1)C1=CC(C)=CC(OC)=C1O |
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InChI Identifier | InChI=1S/C17H16O7/c1-8-4-11(15(19)13(5-8)23-3)17(21)10-6-9(18)7-12(22-2)14(10)16(20)24-17/h4-7,18-19,21H,1-3H3 |
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InChI Key | YLHIFGSGYCPHEH-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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