| SpectraBase Spectrum ID |
JuRb23TpUAI |
| Name |
2',3,4-Trihydroxy-6'-methoxy-2'',2''-dimethylpyrano[2'',3'':3',4']-chalcone, 3-hydroxyxanthohumol C |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.125988358 u |
| Formula |
C21H20O6 |
| InChI |
InChI=1S/C21H20O6/c1-21(2)9-8-13-17(27-21)11-18(26-3)19(20(13)25)15(23)7-5-12-4-6-14(22)16(24)10-12/h4-11,22,24-25H,1-3H3/b7-5+ |
| InChIKey |
AFSMQHYWBZUIHF-FNORWQNLSA-N |
| Molecular Weight |
368.385 g/mol |
| SMILES |
C=1(C(=C2C=CC(OC2=CC1OC)(C)C)O)C(\C=C\C1=CC(O)=C(C=C1)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828171 |
![2',3,4-Trihydroxy-6'-methoxy-2'',2''-dimethylpyrano[2'',3'':3',4']-chalcone, 3-hydroxyxanthohumol C](/api/spectrum/JuRb23TpUAI/structure.png?h=300&w=458 "2',3,4-Trihydroxy-6'-methoxy-2'',2''-dimethylpyrano[2'',3'':3',4']-chalcone, 3-hydroxyxanthohumol C")
