| SpectraBase Spectrum ID |
7zlDMqFFU6z |
| Name |
Methyl (2,3,4,6-tetraacetoxy-.alpha.-D-mannopyranosyl)-(1-> 4)-6-acetoxy-2,3-dimethoxy-.alpha.-D-galactopyranoside |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
594.215985128 u |
| Formula |
C25H38O16 |
| InChI |
InChI=1S/C25H38O16/c1-11(26)34-9-16-18(20(31-6)22(32-7)24(33-8)39-16)41-25-23(38-15(5)30)21(37-14(4)29)19(36-13(3)28)17(40-25)10-35-12(2)27/h16-25H,9-10H2,1-8H3/t16-,17-,18+,19-,20+,21+,22-,23+,24+,25-/m1/s1 |
| InChIKey |
WRWYFBYEUONAJU-NWRCXLIBSA-N |
| Molecular Weight |
594.563 g/mol |
| SMILES |
[C@]1([C@]([C@](OC(=O)C)([C@](O[C@@]1(O[C@@]1([C@@]([C@]([C@@](OC)(O[C@@]1(COC(=O)C)[H])[H])(OC)[H])(OC)[H])[H])[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970296 |
