Record Information |
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Version | 2.0 |
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Created at | 2024-10-14 17:47:16 UTC |
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Updated at | 2024-10-14 20:00:46 UTC |
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NP-MRD ID | NP0341887 |
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Natural Product DOI | https://doi.org/10.57994/3375 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 1-N-(3,4-O-isopropylidene-alpha-D-arabinopyranosyl)-3,7-dimethylquinoxalin-2-one |
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Description | Based on a literature review very few articles have been published on 1-N-(3,4-O-isopropylidene-alpha-D-arabinopyranosyl)-3,7-dimethylquinoxalin-2-one. |
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Structure | CC1=CC=C2N=C(C)C(=O)N([C@H]3OC[C@H]4OC(C)(C)O[C@H]4[C@@H]3O)C2=C1 InChI=1S/C18H22N2O5/c1-9-5-6-11-12(7-9)20(16(22)10(2)19-11)17-14(21)15-13(8-23-17)24-18(3,4)25-15/h5-7,13-15,17,21H,8H2,1-4H3/t13-,14+,15-,17+/m1/s1 |
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Synonyms | Value | Source |
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1-N-(3,4-O-Isopropylidene-a-D-arabinopyranosyl)-3,7-dimethylquinoxalin-2-one | Generator | 1-N-(3,4-O-Isopropylidene-α-D-arabinopyranosyl)-3,7-dimethylquinoxalin-2-one | Generator |
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Chemical Formula | C18H22N2O5 |
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Average Mass | 346.3830 Da |
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Monoisotopic Mass | 346.15287 Da |
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IUPAC Name | 1-[(3aR,6S,7S,7aS)-7-hydroxy-2,2-dimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]-3,7-dimethyl-1,2-dihydroquinoxalin-2-one |
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Traditional Name | 1-[(3aR,6S,7S,7aS)-7-hydroxy-2,2-dimethyl-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-3,7-dimethylquinoxalin-2-one |
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CAS Registry Number | Not Available |
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SMILES | CC1=CC=C2N=C(C)C(=O)N([C@H]3OC[C@H]4OC(C)(C)O[C@H]4[C@@H]3O)C2=C1 |
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InChI Identifier | InChI=1S/C18H22N2O5/c1-9-5-6-11-12(7-9)20(16(22)10(2)19-11)17-14(21)15-13(8-23-17)24-18(3,4)25-15/h5-7,13-15,17,21H,8H2,1-4H3/t13-,14+,15-,17+/m1/s1 |
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InChI Key | BXQUSYIELJHHPY-DLTWYDFYSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 300, CDCl3, simulated) | malainine@gmail.com | Laboratoire des Sciences de l’Ingénieur et le Management de l’Energie (LASIME), EST d’Agadir, Université Ibn Zohr, BP 33S, Agadir, Maroc | Malainine | 2024-10-14 | View Spectrum |
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Species of Origin | Not Available |
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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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