| SpectraBase Spectrum ID |
42dxGejOMLg |
| Name |
2-(2'-Carbomethoxymethyl-3'-oxobutyl)-1,4-dihydroxyanthraquinone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.105252913 u |
| Formula |
C21H18O7 |
| InChI |
InChI=1S/C21H18O7/c1-10(22)11(9-16(24)28-2)7-12-8-15(23)17-18(19(12)25)21(27)14-6-4-3-5-13(14)20(17)26/h3-6,8,11,23,25H,7,9H2,1-2H3 |
| InChIKey |
SAPDZJODSYBFIJ-UHFFFAOYSA-N |
| Molecular Weight |
382.368 g/mol |
| SMILES |
C=12C(C(=O)C3=C(C2=O)C=CC=C3)=C(O)C(=CC1O)CC(C(=O)C)CC(=O)OC |
