| SpectraBase Spectrum ID |
LaYOj8qwd3F |
| Name |
(2R,3S)-8-Benzyl-5,7,3',4'-tetra-o-methylcatechin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.188588616 u |
| Formula |
C26H28O6 |
| InChI |
InChI=1S/C26H28O6/c1-28-21-11-10-17(13-24(21)31-4)25-20(27)14-19-23(30-3)15-22(29-2)18(26(19)32-25)12-16-8-6-5-7-9-16/h5-11,13,15,20,25,27H,12,14H2,1-4H3/t20-,25+/m0/s1 |
| InChIKey |
GADNKQLYCRFUGJ-NBGIEHNGSA-N |
| Molecular Weight |
436.504 g/mol |
| SMILES |
C12=C(C[C@@]([C@](O2)(C=2C=C(OC)C(=CC2)OC)[H])(O)[H])C(OC)=CC(=C1CC=1C=CC=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932269 |
