Record Information |
---|
Version | 2.0 |
---|
Created at | 2024-10-14 17:45:14 UTC |
---|
Updated at | 2024-10-14 20:00:45 UTC |
---|
NP-MRD ID | NP0341884 |
---|
Natural Product DOI | https://doi.org/10.57994/3372 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | 1-N-(3,5,6-tri-O-benzyl-beta-D-glucofuranosyl)-3-methyl-quinoxalin-2-one |
---|
Description | Based on a literature review very few articles have been published on 1-N-(3,5,6-tri-O-benzyl-beta-D-glucofuranosyl)-3-methyl-quinoxalin-2-one. |
---|
Structure | CC1=NC2=CC=CC=C2N([C@@H]2OC([C@H](COC3=CC=CC=C3)OC3=CC=CC=C3)[C@H](OC3=CC=CC=C3)[C@H]2O)C1=O InChI=1S/C33H30N2O6/c1-22-32(37)35(27-20-12-11-19-26(27)34-22)33-29(36)31(40-25-17-9-4-10-18-25)30(41-33)28(39-24-15-7-3-8-16-24)21-38-23-13-5-2-6-14-23/h2-20,28-31,33,36H,21H2,1H3/t28-,29+,30?,31+,33+/m0/s1 |
---|
Synonyms | Value | Source |
---|
1-N-(3,5,6-Tri-O-benzyl-b-D-glucofuranosyl)-3-methyl-quinoxalin-2-one | Generator | 1-N-(3,5,6-Tri-O-benzyl-β-D-glucofuranosyl)-3-methyl-quinoxalin-2-one | Generator |
|
---|
Chemical Formula | C33H30N2O6 |
---|
Average Mass | 550.6110 Da |
---|
Monoisotopic Mass | 550.21039 Da |
---|
IUPAC Name | 1-[(2R,3R,4R)-5-[(1S)-1,2-diphenoxyethyl]-3-hydroxy-4-phenoxyoxolan-2-yl]-3-methyl-1,2-dihydroquinoxalin-2-one |
---|
Traditional Name | 1-[(2R,3R,4R)-5-[(1S)-1,2-diphenoxyethyl]-3-hydroxy-4-phenoxyoxolan-2-yl]-3-methylquinoxalin-2-one |
---|
CAS Registry Number | Not Available |
---|
SMILES | CC1=NC2=CC=CC=C2N([C@@H]2OC([C@H](COC3=CC=CC=C3)OC3=CC=CC=C3)[C@H](OC3=CC=CC=C3)[C@H]2O)C1=O |
---|
InChI Identifier | InChI=1S/C33H30N2O6/c1-22-32(37)35(27-20-12-11-19-26(27)34-22)33-29(36)31(40-25-17-9-4-10-18-25)30(41-33)28(39-24-15-7-3-8-16-24)21-38-23-13-5-2-6-14-23/h2-20,28-31,33,36H,21H2,1H3/t28-,29+,30?,31+,33+/m0/s1 |
---|
InChI Key | KDOVKFALGRIIII-VAMUCWBRSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
| Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
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 |
| Species |
---|
Species of Origin | Not Available |
---|
Chemical Taxonomy |
---|
Classification | Not classified |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|