Record Information |
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Version | 1.0 |
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Created at | 2022-09-06 21:15:21 UTC |
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Updated at | 2022-09-06 21:15:21 UTC |
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NP-MRD ID | NP0237961 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2e)-2-[(3r,6r,7r)-3-methyl-10-oxo-6-[(1e)-prop-1-en-1-yl]-2,4,11-trioxatricyclo[7.4.0.0³,⁷]trideca-1(9),12-dien-13-yl]pent-2-enal |
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Description | Astronypyrone belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. (2e)-2-[(3r,6r,7r)-3-methyl-10-oxo-6-[(1e)-prop-1-en-1-yl]-2,4,11-trioxatricyclo[7.4.0.0³,⁷]trideca-1(9),12-dien-13-yl]pent-2-enal is found in Astrosphaeriella nypae. Based on a literature review very few articles have been published on Astronypyrone. |
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Structure | CC\C=C(\C=O)C1=COC(=O)C2=C1O[C@@]1(C)OC[C@H](\C=C\C)[C@H]1C2 InChI=1S/C19H22O5/c1-4-6-12(9-20)15-11-22-18(21)14-8-16-13(7-5-2)10-23-19(16,3)24-17(14)15/h5-7,9,11,13,16H,4,8,10H2,1-3H3/b7-5+,12-6-/t13-,16+,19+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C19H22O5 |
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Average Mass | 330.3800 Da |
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Monoisotopic Mass | 330.14672 Da |
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IUPAC Name | (2E)-2-[(3R,6R,7R)-3-methyl-10-oxo-6-[(1E)-prop-1-en-1-yl]-2,4,11-trioxatricyclo[7.4.0.0^{3,7}]trideca-1(9),12-dien-13-yl]pent-2-enal |
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Traditional Name | (2E)-2-[(3R,6R,7R)-3-methyl-10-oxo-6-[(1E)-prop-1-en-1-yl]-2,4,11-trioxatricyclo[7.4.0.0^{3,7}]trideca-1(9),12-dien-13-yl]pent-2-enal |
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CAS Registry Number | Not Available |
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SMILES | CC\C=C(\C=O)C1=COC(=O)C2=C1O[C@@]1(C)OC[C@H](\C=C\C)[C@H]1C2 |
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InChI Identifier | InChI=1S/C19H22O5/c1-4-6-12(9-20)15-11-22-18(21)14-8-16-13(7-5-2)10-23-19(16,3)24-17(14)15/h5-7,9,11,13,16H,4,8,10H2,1-3H3/b7-5+,12-6-/t13-,16+,19+/m0/s1 |
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InChI Key | XCCRIMCUROIIKJ-VEOLBBLCSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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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Description | Belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Furopyrans |
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Sub Class | Not Available |
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Direct Parent | Furopyrans |
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Alternative Parents | |
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Substituents | - Furopyran
- Ketal
- Pyranone
- Pyran
- Heteroaromatic compound
- Vinylogous ester
- Tetrahydrofuran
- Furan
- Enal
- Alpha,beta-unsaturated aldehyde
- Lactone
- Oxacycle
- Acetal
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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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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