Record Information |
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Version | 2.0 |
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Created at | 2024-10-14 17:46:06 UTC |
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Updated at | 2024-10-14 20:00:46 UTC |
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NP-MRD ID | NP0341885 |
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Natural Product DOI | https://doi.org/10.57994/3373 |
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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-methyl-quinoxalin-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-methyl-quinoxalin-2-one. |
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Structure | CC1=NC2=CC=CC=C2N([C@H]2OC[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)C1=O InChI=1S/C17H20N2O5/c1-9-15(21)19(11-7-5-4-6-10(11)18-9)16-13(20)14-12(8-22-16)23-17(2,3)24-14/h4-7,12-14,16,20H,8H2,1-3H3/t12-,13+,14-,16+/m1/s1 |
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Synonyms | Value | Source |
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1-N-(3,4-O-Isopropylidene-a-D-arabinopyranosyl)-3-methyl-quinoxalin-2-one | Generator | 1-N-(3,4-O-Isopropylidene-α-D-arabinopyranosyl)-3-methyl-quinoxalin-2-one | Generator |
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Chemical Formula | C17H20N2O5 |
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Average Mass | 332.3560 Da |
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Monoisotopic Mass | 332.13722 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-methyl-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-methylquinoxalin-2-one |
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CAS Registry Number | Not Available |
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SMILES | CC1=NC2=CC=CC=C2N([C@H]2OC[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)C1=O |
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InChI Identifier | InChI=1S/C17H20N2O5/c1-9-15(21)19(11-7-5-4-6-10(11)18-9)16-13(20)14-12(8-22-16)23-17(2,3)24-14/h4-7,12-14,16,20H,8H2,1-3H3/t12-,13+,14-,16+/m1/s1 |
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InChI Key | CWNLLFUPNAASRO-CTASWTNQSA-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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