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Lupulone information


Lupulone

Lupulone chemical structure
Names
IUPAC name
3,5-Dihydroxy-2,6,6-tris(3-methylbuten-2-yl)-4-(3-methyl-1-oxobutyl)cyclohexa-2,4-dien-1-one [1]
Identifiers
CAS Number
  • 468-28-0 checkY
3D model (JSmol)
  • Interactive image
Beilstein Reference
 6983327
ChEBI
  • CHEBI:6574
ChEMBL
  • ChEMBL480267
ChemSpider
  • 13433819
ECHA InfoCard 100.006.734 Edit this at Wikidata
EC Number
  • 207-405-3
KEGG
  • C10706
PubChem CID
  • 68051
RTECS number
  • OK5950000
UNII
  • B7425USG94 checkY
CompTox Dashboard (EPA)
  • DTXSID00875553 Edit this at Wikidata
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
    Key: WPVSVIXDXMNGGN-UHFFFAOYSA-N[2]
SMILES
  • O=C1C(/C\C=C(/C)C)=C(/O)\C(=C(\O)C1(C\C=C(/C)C)C\C=C(/C)C)C(=O)CC(C)C
Properties
Chemical formula
 C26H38O4
Molar mass 414.586 g·mol−1
Melting point 92–94 °C (198–201 °F; 365–367 K)
Boiling point 498 °C (928 °F; 771 K)
Solubility in water
 Insoluble
Acidity (pKa) 4.20
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineFlammability 2: Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur. Flash point between 38 and 93 °C (100 and 200 °F). E.g. diesel fuelInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
1
2
0
Flash point 269°C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Lupulone is an organic chemical compound with the molecular formula C26H38O4 and an appearance of a yellow powder which was historically used in beer brewing.

  1. ^ "Lupulone". pubchem.ncbi.nlm.nih.gov. Retrieved 16 May 2024.
  2. ^ "Lupulone | C26H38O4 | ChemSpider".

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