| SpectraBase Spectrum ID |
25Sjk0Nx9Yy |
| Name |
5-Methoxy-4,4'-di-o-methyl-seco-lariciresinol - diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
504.235932730 u |
| Formula |
C27H36O9 |
| InChI |
InChI=1S/C27H36O9/c1-17(28)35-15-21(10-19-8-9-23(30-3)24(12-19)31-4)22(16-36-18(2)29)11-20-13-25(32-5)27(34-7)26(14-20)33-6/h8-9,12-14,21-22H,10-11,15-16H2,1-7H3/t21-,22-/m0/s1 |
| InChIKey |
RSFSYSLFHHDDAP-VXKWHMMOSA-N |
| Molecular Weight |
504.576 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)C[C@]([C@@](CC1=CC(OC)=C(C=C1)OC)(COC(=O)C)[H])(COC(=O)C)[H])OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868199 |
