| SpectraBase Spectrum ID |
3cmB08e39p2 |
| Name |
Pentanoic acid, 4-methyl-5-[(2,3,4,6-tetra-o-acetyl-D-glucopyranosyl)oxy]-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
476.189376458 u |
| Formula |
C21H32O12 |
| InChI |
InChI=1S/C21H32O12/c1-11(7-8-17(26)27-6)9-29-21-20(32-15(5)25)19(31-14(4)24)18(30-13(3)23)16(33-21)10-28-12(2)22/h11,16,18-21H,7-10H2,1-6H3 |
| InChIKey |
ZMDFGQDWBBLCGT-UHFFFAOYSA-N |
| Molecular Weight |
476.475 g/mol |
| SMILES |
C(O[C@@]1([C@@](OC(C)=O)(C(OCC(CCC(OC)=O)C)O[C@@]([C@]1(OC(C)=O)[H])(COC(C)=O)[H])[H])[H])(C)=O |
![Pentanoic acid, 4-methyl-5-[(2,3,4,6-tetra-o-acetyl-D-glucopyranosyl)oxy]-, methyl ester](/api/spectrum/3cmB08e39p2/structure.png?h=300&w=458 "Pentanoic acid, 4-methyl-5-[(2,3,4,6-tetra-o-acetyl-D-glucopyranosyl)oxy]-, methyl ester")
