| SpectraBase Spectrum ID |
GDJnnYMzyCW |
| Name |
2-Oxabicyclo[4.2.0]oct-4-en-3-one, rel-(1R,6S,7S,8S)-5-methoxy-7-(4-pyridyl)-8-(4-methoxy-2-oxo-2H-pyran-6-yl)-1-[(E)-2-(4-pyridyl)ethenyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.147786430 u |
| Formula |
C26H22N2O6 |
| InChI |
InChI=1S/C26H22N2O6/c1-31-18-13-20(33-21(29)14-18)25-23(17-6-11-28-12-7-17)24-19(32-2)15-22(30)34-26(24,25)8-3-16-4-9-27-10-5-16/h3-15,23-25H,1-2H3/b8-3+ |
| InChIKey |
IUQKBIZCSYYSLA-FPYGCLRLSA-N |
| Molecular Weight |
458.470 g/mol |
| SMILES |
C1=NC=CC(=C1)\C=C\C12OC(=O)C=C(C2C(C1C1=CC(OC)=CC(O1)=O)C1=CC=NC=C1)OC |
![2-Oxabicyclo[4.2.0]oct-4-en-3-one, rel-(1R,6S,7S,8S)-5-methoxy-7-(4-pyridyl)-8-(4-methoxy-2-oxo-2H-pyran-6-yl)-1-[(E)-2-(4-pyridyl)ethenyl]-](/api/spectrum/GDJnnYMzyCW/structure.png?h=300&w=458 "2-Oxabicyclo[4.2.0]oct-4-en-3-one, rel-(1R,6S,7S,8S)-5-methoxy-7-(4-pyridyl)-8-(4-methoxy-2-oxo-2H-pyran-6-yl)-1-[(E)-2-(4-pyridyl)ethenyl]-")
