| SpectraBase Spectrum ID |
219OPTpgNNT |
| Name |
2-Oxabicyclo[4.2.0]oct-4-en-3-one, 5-(acetyloxy)-8-[4-(acetyloxy)-2-oxo-2H-pyran-6-yl]-7-phenyl-1-(2-phenylethenyl)-, [1alpha(E),6 |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.178417854 u |
| Formula |
C30H28O8 |
| InChI |
InChI=1S/C15H14O4.C8H8.C7H6O4/c1-9(16)18-13-8-14(17)19-12-7-11(15(12)13)10-5-3-2-4-6-10;1-2-8-6-4-3-5-7-8;1-5(8)11-6-2-3-10-7(9)4-6/h2-6,8,11-12,15H,7H2,1H3;2-7H,1H2;2-4H,1H3 |
| InChIKey |
XNQRWSRZHNBPSN-UHFFFAOYSA-N |
| Molecular Weight |
516.546 g/mol |
| Nominal Mass |
516 u |
| SMILES |
C=Cc1ccccc1.c1(C2C3C(C2)OC(=O)C=C3OC(C)=O)ccccc1.C1=CC(=CC(O1)=O)OC(C)=O |
![2-Oxabicyclo[4.2.0]oct-4-en-3-one, 5-(acetyloxy)-8-[4-(acetyloxy)-2-oxo-2H-pyran-6-yl]-7-phenyl-1-(2-phenylethenyl)-, [1alpha(E),6](/api/spectrum/219OPTpgNNT/structure.png?h=300&w=458 "2-Oxabicyclo[4.2.0]oct-4-en-3-one, 5-(acetyloxy)-8-[4-(acetyloxy)-2-oxo-2H-pyran-6-yl]-7-phenyl-1-(2-phenylethenyl)-, [1alpha(E),6")
