| SpectraBase Spectrum ID |
LnkGiByXZSY |
| Name |
(8R,8'R)-3',4'-Dimethoxy-3,4-(methylenedioxy)-7'-(propane-1'',3''-diyldithio)-lignano-9,9'-lactone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.117080899 u |
| Formula |
C24H26O6S2 |
| InChI |
InChI=1S/C24H26O6S2/c1-26-19-7-5-16(12-21(19)27-2)24(31-8-3-9-32-24)18-13-28-23(25)17(18)10-15-4-6-20-22(11-15)30-14-29-20/h4-7,11-12,17-18H,3,8-10,13-14H2,1-2H3/t17-,18+/m1/s1 |
| InChIKey |
TWWCHOIIZDCUEL-MSOLQXFVSA-N |
| Molecular Weight |
474.586 g/mol |
| SMILES |
C1([C@@]2([C@](C(=O)OC2)(CC2=CC=3OCOC3C=C2)[H])[H])(C2=CC(=C(OC)C=C2)OC)SCCCS1 |
