| SpectraBase Spectrum ID |
JxKEsRU2MJq |
| Name |
Xanthohumol, triacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.178417854 u |
| Formula |
C27H28O8 |
| InChI |
InChI=1S/C27H28O8/c1-16(2)7-13-22-24(34-18(4)29)15-25(32-6)26(27(22)35-19(5)30)23(31)14-10-20-8-11-21(12-9-20)33-17(3)28/h7-12,14-15H,13H2,1-6H3/b14-10+ |
| InChIKey |
UQVMVRQZPUBDOJ-GXDHUFHOSA-N |
| Molecular Weight |
480.513 g/mol |
| SMILES |
C(\C=C\C1=CC=C(C=C1)OC(=O)C)(=O)C1=C(OC)C=C(OC(=O)C)C(=C1OC(=O)C)CC=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921885 |
