| SpectraBase Spectrum ID |
68ElUdOmoww |
| Name |
2-[2'-(2'-Hydroxyethyl)-3'-ethylenedioxybutyl]-5-metinone |
| Alternate Name(s) |
1,4-bis(benzyloxy)-2-[4-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)butyl]-5-methoxyanthra-9,10-quinone |
| CAS Registry Number |
67408-68-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C37H36O8 |
| InChI |
InChI=1S/C37H36O8/c1-37(44-18-19-45-37)27(16-17-38)20-26-21-30(42-22-24-10-5-3-6-11-24)32-33(36(26)43-23-25-12-7-4-8-13-25)34(39)28-14-9-15-29(41-2)31(28)35(32)40/h3-15,21,27,38H,16-20,22-23H2,1-2H3 |
| InChIKey |
NXTZXBXEXGFKCQ-UHFFFAOYSA-N |
| Molecular Weight |
608.687 g/mol |
| SMILES |
OCCC(C1(OCCO1)C)Cc1cc(c2c(C(=O)c3c(C2=O)c(OC)ccc3)c1OCc1ccccc1)OCc1ccccc1 |
| SPLASH |
splash10-000i-9000000000-adb9ca1aee194f174e68 |
| Source of Spectrum |
J-43-4167-0 |
| Wiley ID |
1410762 |
![2-[2'-(2'-Hydroxyethyl)-3'-ethylenedioxybutyl]-5-metinone](/api/spectrum/68ElUdOmoww/structure.png?h=300&w=458 "2-[2'-(2'-Hydroxyethyl)-3'-ethylenedioxybutyl]-5-metinone")
