Lupulone
3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
| Molecular Formula | C26H38O4 |
|---|---|
| Molecular Weight | 414.6 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 74.6 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.277 |
| Heavy Atoms | 30 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 468-28-0 |
|---|---|
| SMILES | CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O |
| InChIKey | LSDULPZJLTZEFD-UHFFFAOYSA-N |
📖 Product Overview
Lupulone (CAS: 468-28-0) is a chemical compound with molecular formula C26H38O4 and molecular weight 414.6 g/mol. Its IUPAC systematic name is 3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one.
LSDULPZJLTZEFD-UHFFFAOYSA-N.
SMILES: CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O.
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