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lupulone · CAS 468-28-0 · C26H38O4. UNII B7425USG94.
| CAS Registry Number | 468-28-0 |
|---|---|
| PubChem CID | 68051 |
| Molecular formula | C26H38O4 |
| IUPAC name | 3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one |
| UNII (FDA) | B7425USG94 |
| Molecular Weight | 414.6 |
|---|---|
| XLogP3 | 6.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 414.27700969 |
| Monoisotopic Mass | 414.27700969 |
| Topological Polar Surface Area | 74.6 |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Reported hazard statements | H301 (90.5%) |
|---|
H301 (90.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Lupulone; 468-28-0; beta-Lupulic acid; 3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one; CHEBI:6574; RefChem:1088600; Lupulon; beta-Bitter acid; B'' -Acid; Lupolon; EINECS 207-405-3; .beta.-Bitter acid; .beta.-Lupulic acid; 3,5-Dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one; 2,4-Cyclohexadien-1-one, 3,5-dihydroxy-4-isovaleryl-2,6,6-tris(3-methyl-2-butenyl)-; B7425USG94
CAS 468-28-0; molecular formula C26H38O4; molecular weight — g/mol.
Lupulone, 468-28-0, beta-Lupulic acid, 3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one, CHEBI:6574, RefChem:1088600.
Hazard statements reported: H301.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.