| SpectraBase Spectrum ID |
81Rv3Gglb38 |
| Name |
Thunberginol B tetraacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.089996770 u |
| Formula |
C23H18O10 |
| InChI |
InChI=1S/C23H18O10/c1-11(24)29-17-7-16-9-19(33-23(28)22(16)21(10-17)32-14(4)27)15-5-6-18(30-12(2)25)20(8-15)31-13(3)26/h5-10H,1-4H3 |
| InChIKey |
AZVXFXIJWOXAOL-UHFFFAOYSA-N |
| Molecular Weight |
454.387 g/mol |
| SMILES |
C1(C=2C(=CC(=CC2OC(=O)C)OC(=O)C)C=C(O1)C1=CC(OC(=O)C)=C(C=C1)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915258 |
