| SpectraBase Spectrum ID |
2LWnZGigDsj |
| Name |
Methyl (1 S)-4,6-o-(2,3,4,6-tetraacetoxy-D-mannopyranosylidene)-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 |
550.189770380 u |
| Formula |
C23H34O15 |
| InChI |
InChI=1S/C23H34O15/c1-10(24)31-8-15-16(33-11(2)25)19(34-12(3)26)21(35-13(4)27)23(37-15)32-9-14-17(38-23)18(28-5)20(29-6)22(30-7)36-14/h14-22H,8-9H2,1-7H3/t14-,15-,16-,17+,18+,19+,20-,21+,22+,23+/m1/s1 |
| InChIKey |
GXROWVYCMKVEAX-KIXXYXSJSA-N |
| Molecular Weight |
550.510 g/mol |
| SMILES |
[C@]12([C@]([C@]([C@](OC(=O)C)([C@](O2)(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])O[C@@]2([C@@]([C@]([C@@](OC)(O[C@@]2(CO1)[H])[H])(OC)[H])(OC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939962 |
