| SpectraBase Spectrum ID |
LTpFrJBy9fV |
| Name |
2',4,4'-Trihydroxy-3'-(3''-hydroxy-methylbutyl)-3,6'-dimethoxychalcone, 3-methoxyxanthohumol H |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.167853170 u |
| Formula |
C22H26O7 |
| InChI |
InChI=1S/C22H26O7/c1-22(2,27)10-9-14-17(25)12-19(29-4)20(21(14)26)16(24)8-6-13-5-7-15(23)18(11-13)28-3/h5-8,11-12,23,25-27H,9-10H2,1-4H3/b8-6+ |
| InChIKey |
VUCUUCXNAYBAFS-SOFGYWHQSA-N |
| Molecular Weight |
402.443 g/mol |
| SMILES |
C=1(C(=C(C(O)=CC1OC)CCC(O)(C)C)O)C(\C=C\C1=CC(=C(O)C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841226 |
