| SpectraBase Spectrum ID |
EVxTXwfH8UH |
| Name |
4-[2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]-2-oxolanone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
520.122560202 u |
| Formula |
C25H28O8S2 |
| InChI |
InChI=1S/C25H28O8S2/c1-28-19-9-14(10-20(29-2)23(19)30-3)22(26)21-16(12-31-24(21)27)25(34-7-4-8-35-25)15-5-6-17-18(11-15)33-13-32-17/h5-6,9-11,16,21-22,26H,4,7-8,12-13H2,1-3H3 |
| InChIKey |
SCWJXLRIZVMXHM-UHFFFAOYSA-N |
| Molecular Weight |
520.611 g/mol |
| SMILES |
C1(C2(C3=CC=4OCOC4C=C3)SCCCS2)C(C(=O)OC1)C(C=1C=C(OC)C(=C(C1)OC)OC)O |
![4-[2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]-2-oxolanone](/api/spectrum/EVxTXwfH8UH/structure.png?h=300&w=458 "4-[2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl]-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]-2-oxolanone")
