| SpectraBase Spectrum ID |
GJHTssOwe8B |
| Name |
D-Lyxo-heptopyranoside, 4,6,7-tri-o-acetyl-2,3-dideoxy-D-lyxo-heptopyranosyl 2,3-dideoxy-, triacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
590.221070509 u |
| Formula |
C26H38O15 |
| InChI |
InChI=1S/C26H38O15/c1-13(27)33-11-21(37-17(5)31)25-19(35-15(3)29)7-9-23(40-25)39-24-10-8-20(36-16(4)30)26(41-24)22(38-18(6)32)12-34-14(2)28/h19-26H,7-12H2,1-6H3/t19-,20-,21-,22-,23?,24?,25-,26-/m1/s1 |
| InChIKey |
GNBKXTDYTBLCDA-LTQLIJNKSA-N |
| Molecular Weight |
590.575 g/mol |
| SMILES |
[C@@]1(OC(OC2O[C@@]([C@](OC(=O)C)(COC(=O)C)[H])([C@@](CC2)(OC(=O)C)[H])[H])CC[C@]1(OC(=O)C)[H])([C@](OC(=O)C)(COC(=O)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97039 |
