| SpectraBase Spectrum ID |
El6MjAdYzk2 |
| Name |
Methyl(1S,4as,6S,9S,9as)-6,9-epoxy-8-hydroxy-1-(2',3',4',6'-tetraacetyl-.beta.-D-glucopyranosyloxy)-4A,9A-dihydro-1H-oxepano[4,5-C]pyran-4-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
588.169034934 u |
| Formula |
C25H32O16 |
| InChI |
InChI=1S/C25H32O16/c1-9(26)33-8-15-18(35-10(2)27)20(36-11(3)28)21(37-12(4)29)25(38-15)41-24-17-13(14(7-34-24)22(30)32-5)6-16-39-19(17)23(31)40-16/h7,13,15-21,23-25,31H,6,8H2,1-5H3/t13-,15-,16+,17+,18+,19+,20-,21-,23?,24+,25+/m1/s1 |
| InChIKey |
IFRFYIQBZQTZTR-JKYTXHJMSA-N |
| Molecular Weight |
588.515 g/mol |
| SMILES |
C=1([C@@]2([C@]([C@]3(C(O)O[C@@](C2)(O3)[H])[H])([H])[C@@](OC1)(O[C@]1([C@@]([C@](OC(=O)C)([C@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])[H])[H])C(=O)OC |
![Methyl(1S,4aS,6S,9S,9aS)-6,9-epoxy-8-hydroxy-1-(2',3',4',6'-tetraacetyl-.beta.-d-glucopyranosyloxy)-4a,9a-dihydro-1H-oxepano[4,5-c]pyran-4-carboxylate](/api/spectrum/El6MjAdYzk2/structure.png?h=300&w=458 "Methyl(1S,4aS,6S,9S,9aS)-6,9-epoxy-8-hydroxy-1-(2',3',4',6'-tetraacetyl-.beta.-d-glucopyranosyloxy)-4a,9a-dihydro-1H-oxepano[4,5-c]pyran-4-carboxylate")
