| SpectraBase Spectrum ID |
96QlApVhuvv |
| Name |
2-(2'-Carbomethoxymethyl-3'-oxobutyl)-1,4-dihydroxy-5-methoxyanthraquinone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.115817596 u |
| Formula |
C22H20O8 |
| InChI |
InChI=1S/C22H20O8/c1-10(23)11(9-16(25)30-3)7-12-8-14(24)18-19(20(12)26)21(27)13-5-4-6-15(29-2)17(13)22(18)28/h4-6,8,11,24,26H,7,9H2,1-3H3 |
| InChIKey |
ZJWZFOWXMQHVNE-UHFFFAOYSA-N |
| Molecular Weight |
412.394 g/mol |
| SMILES |
C=12C(C(=O)C3=C(C2=O)C(OC)=CC=C3)=C(O)C(=CC1O)CC(C(=O)C)CC(=O)OC |
