| Record Information |
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| Version | 2.0 |
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| Created at | 2021-01-06 01:55:42 UTC |
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| Updated at | 2021-07-15 17:24:39 UTC |
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| NP-MRD ID | NP0017132 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Scopranone C |
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| Provided By | NPAtlas |
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| Description | Scopranone C is found in Streptomyces. Based on a literature review very few articles have been published on 4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-(pent-2-en-3-yl)-2,3-dihydrofuran-3-one. |
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| Structure | [H]O[C@]([H])(C([H])([H])[H])[C@]1(O[H])OC(\C(=C(/[H])C([H])([H])[H])C([H])([H])C([H])([H])[H])=C(C1=O)C([H])([H])C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H] InChI=1S/C17H28O4/c1-6-12(7-2)10-14-15(13(8-3)9-4)21-17(20,11(5)18)16(14)19/h8,11-12,18,20H,6-7,9-10H2,1-5H3/b13-8+/t11-,17+/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C17H28O4 |
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| Average Mass | 296.4070 Da |
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| Monoisotopic Mass | 296.19876 Da |
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| IUPAC Name | (2S)-4-(2-ethylbutyl)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-5-[(2E)-pent-2-en-3-yl]-2,3-dihydrofuran-3-one |
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| Traditional Name | (2S)-4-(2-ethylbutyl)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-5-[(2E)-pent-2-en-3-yl]furan-3-one |
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| CAS Registry Number | Not Available |
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| SMILES | CCC(CC)CC1=C(OC(O)(C(C)O)C1=O)C(CC)=CC |
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| InChI Identifier | InChI=1S/C17H28O4/c1-6-12(7-2)10-14-15(13(8-3)9-4)21-17(20,11(5)18)16(14)19/h8,11-12,18,20H,6-7,9-10H2,1-5H3 |
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| InChI Key | PQBMCFDITKPAFG-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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