| SpectraBase Compound ID | JpdkpXNfZGI |
|---|---|
| InChI | InChI=1S/C32H39N3O16/c1-16(36)43-14-25(45-18(3)38)28(46-19(4)39)27(24-13-33-35(34-24)23-11-9-8-10-12-23)51-32-31(49-22(7)42)30(48-21(6)41)29(47-20(5)40)26(50-32)15-44-17(2)37/h8-13,25-32H,14-15H2,1-7H3 |
| InChIKey | BFRHXQAVZLQAPS-UHFFFAOYSA-N |
| Mol Weight | 721.7 g/mol |
| Molecular Formula | C32H39N3O16 |
| Exact Mass | 721.233032 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KsTxFDw3k6o |
|---|---|
| Name | .beta.-D-Glucopyranoside, 2,3,4-tris(acetyloxy)-1-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl, tetraacetate (ester) |
| CAS Registry Number | 35405-82-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H39N3O16 |
| InChI | InChI=1S/C32H39N3O16/c1-16(36)43-14-25(45-18(3)38)28(46-19(4)39)27(24-13-33-35(34-24)23-11-9-8-10-12-23)51-32-31(49-22(7)42)30(48-21(6)41)29(47-20(5)40)26(50-32)15-44-17(2)37/h8-13,25-32H,14-15H2,1-7H3 |
| InChIKey | BFRHXQAVZLQAPS-UHFFFAOYSA-N |
| Molecular Weight | 721.669 g/mol |
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC(c1cn[n](-c2ccccc2)n1)C(C(COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O |
| SPLASH | splash10-067i-2921000000-8a0ab56e20cd17a7a5f5 |
| Source of Spectrum | O-5-1151-7 |
| Synonyms | 2-(Acetyloxy)-1-[(acetyloxy)methyl]-3-(2-phenyl-2H-1,2,3-triazol-4-yl)-3-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]propyl acetate [3,4,5-triacetoxy-6-[2,3,4-triacetoxy-1-(2-phenyltriazol-4-yl)butoxy]tetrahydropyran-2-yl]methyl acetate [3,4,5-triacetyloxy-6-[2,3,4-triacetyloxy-1-(2-phenyl-1,2,3-triazol-4-yl)butoxy]oxan-2-yl]methyl ethanoate [3,4,5-triacetyloxy-6-[2,3,4-triacetyloxy-1-(2-phenyltriazol-4-yl)butoxy]oxan-2-yl]methyl acetate Acetic acid [3,4,5-triacetyloxy-6-[2,3,4-triacetyloxy-1-(2-phenyl-4-triazolyl)butoxy]-2-oxanyl]methyl ester |
| Wiley ID | 1415663 |