Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 06:17:10 UTC |
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Updated at | 2021-07-15 17:35:05 UTC |
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NP-MRD ID | NP0020961 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Glycoasperfuran |
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Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
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Description | Glycoasperfuran is found in Cordyceps javanica. It was first documented in 2019 (PMID: 31921369). Based on a literature review very few articles have been published on (2S,3R,4R,5S,6R)-2-{[(2R)-7-hydroxy-2-(penta-1,3-dien-1-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol. |
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Structure | [H]OC1=C2O[C@@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])([H])[H])C([H])([H])C2=C([H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(OC([H])([H])[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C1[H] InChI=1S/C20H26O8/c1-3-4-5-6-12-7-11-8-13(9-14(22)18(11)26-12)27-20-17(24)16(23)19(25-2)15(10-21)28-20/h3-6,8-9,12,15-17,19-24H,7,10H2,1-2H3/b4-3+,6-5-/t12-,15+,16+,17+,19+,20+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H26O8 |
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Average Mass | 394.4200 Da |
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Monoisotopic Mass | 394.16277 Da |
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IUPAC Name | (2S,3R,4R,5S,6R)-2-{[(2R)-7-hydroxy-2-[(1Z,3E)-penta-1,3-dien-1-yl]-2,3-dihydro-1-benzofuran-5-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol |
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Traditional Name | (2S,3R,4R,5S,6R)-2-{[(2R)-7-hydroxy-2-[(1Z,3E)-penta-1,3-dien-1-yl]-2,3-dihydro-1-benzofuran-5-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol |
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CAS Registry Number | Not Available |
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SMILES | CO[C@@H]1[C@@H](CO)O[C@@H](OC2=CC3=C(O[C@H](C3)C=CC=CC)C(O)=C2)[C@H](O)[C@H]1O |
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InChI Identifier | InChI=1S/C20H26O8/c1-3-4-5-6-12-7-11-8-13(9-14(22)18(11)26-12)27-20-17(24)16(23)19(25-2)15(10-21)28-20/h3-6,8-9,12,15-17,19-24H,7,10H2,1-2H3/t12-,15+,16+,17+,19+,20+/m0/s1 |
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InChI Key | FDEFVNRVFBOZML-BOYOGRNWSA-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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