| SpectraBase Spectrum ID |
4DPwCKqgFIe |
| Name |
Methyl 13-[1'-((methoxycarbonyl)methyl)-2',2'-(ethylenedithio)propyl]podocarpa-8,11,13-trien-18-oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
476.205501983 u |
| Formula |
C26H36O4S2 |
| InChI |
InChI=1S/C26H36O4S2/c1-24-11-6-12-25(2,23(28)30-5)21(24)10-8-17-15-18(7-9-19(17)24)20(16-22(27)29-4)26(3)31-13-14-32-26/h7,9,15,20-21H,6,8,10-14,16H2,1-5H3/t20?,21?,24-,25+/m1/s1 |
| InChIKey |
OREVXFBJALKSBM-GBBDAIBUSA-N |
| Molecular Weight |
476.690 g/mol |
| SMILES |
[C@@]12(C([C@](C(=O)OC)(C)CCC2)CCC2=C1C=CC(C(C1(SCCS1)C)CC(=O)OC)=C2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929508 |
![Methyl 13-[1'-((methoxycarbonyl)methyl)-2',2'-(ethylenedithio)propyl]podocarpa-8,11,13-trien-18-oate](/api/spectrum/4DPwCKqgFIe/structure.png?h=300&w=458 "Methyl 13-[1'-((methoxycarbonyl)methyl)-2',2'-(ethylenedithio)propyl]podocarpa-8,11,13-trien-18-oate")
