| SpectraBase Spectrum ID |
EcDw2xfYdDS |
| Name |
beta.-D-Glucopyranosyl, (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate, 5ac derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
556.215591206 u |
| Formula |
C26H36O13 |
| InChI |
InChI=1S/C26H36O13/c1-14(11-12-33-16(3)27)9-8-10-15(2)25(32)39-26-24(37-20(7)31)23(36-19(6)30)22(35-18(5)29)21(38-26)13-34-17(4)28/h10-11,21-24,26H,8-9,12-13H2,1-7H3/b14-11+,15-10+/t21-,22-,23+,24-,26+/m1/s1 |
| InChIKey |
MTIWGIJBAKVCAO-WROCRXAESA-N |
| Molecular Weight |
556.561 g/mol |
| SMILES |
C(\C=C\(C(O[C@]1([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(C)=O)([C@](O1)(COC(=O)C)[H])[H])[H])[H])[H])=O)C)C\C(=C\COC(=O)C)C |
