| SpectraBase Spectrum ID |
7UwJAUxOQUx |
| Name |
Lupulon |
| Alternate Name(s) |
3,5-Dihydroxy-4-(3-methylbutanoyl)-2,6,6-tris(3-methyl-2-butenyl)-2,4-cyclohexadien-1-one
2,4-Cyclohexadien-1-one, 3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-
Lupulone
.beta.-Lupulic acid
.beta.-Bitter acid
2,4-Cyclohexadien-1-one, 3,5-dihydroxy-4-isovaleryl-2,6,6-tris(3-methyl-2-butenyl)-
3,5-Dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one |
| CAS Registry Number |
468-28-0 |
| Comments |
Structure changed after expert review |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H38O4 |
| InChI |
InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19,28,30H,10,13-15H2,1-8H3 |
| InChIKey |
WPVSVIXDXMNGGN-UHFFFAOYSA-N |
| Molecular Weight |
414.586 g/mol |
| SMILES |
OC1=C(C(=C(C(C1(CC=C(C)C)CC=C(C)C)=O)CC=C(C)C)O)C(CC(C)C)=O |
| SPLASH |
splash10-014l-9120000000-20b735d556e309423433 |
| Source of Spectrum |
EP-8128-0-0 |
| Wiley ID |
1375616 |
