Cas no 31769-60-5 (2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(2-methyl-1-oxobutyl)-)

2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(2-methyl-1-oxobutyl)- structure
31769-60-5 structure
Product Name:2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(2-methyl-1-oxobutyl)-
CAS No:31769-60-5
MF:C26H38O4
MW:414.577528476715
CID:292992
PubChem ID:9909740
Update Time:2025-04-19

2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(2-methyl-1-oxobutyl)- Chemical and Physical Properties

Names and Identifiers

    • 2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(2-methyl-1-oxobutyl)-
    • Adlupulone
    • NS00094540
    • UNII-O2S4D7K08Y
    • 3,5-dihydroxy-2-(2-methylbutanoyl)-4,6,6-tris(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one
    • 35049-54-8
    • Q27894794
    • 2,4-Cyclohexadien-1-one, 3,5-dihydroxy-4,6,6-tris(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxobutyl)-
    • 4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6-tris(3-methyl-2-buten-1-yl)-4-(2-methyl-1-oxobutyl)-
    • DTXSID901318318
    • SCHEMBL817774
    • 3,5-dihydroxy-2-(2-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
    • CHEBI:136852
    • 31769-60-5
    • O2S4D7K08Y
    • 28374-71-2
    • Inchi： 1S/C26H38O4/c1-9-19(8)22(27)21-23(28)20(11-10-16(2)3)24(29)26(25(21)30,14-12-17(4)5)15-13-18(6)7/h10,12-13,19,28-29H,9,11,14-15H2,1-8H3
    • InChI Key： QXPOWGXRDUFAQW-UHFFFAOYSA-N
    • SMILES： OC1=C(C/C=C(\C)/C)C(=C(C(C(C)CC)=O)C(C1(C/C=C(\C)/C)C/C=C(\C)/C)=O)O

Computed Properties

  • Exact Mass: 414.27700969g/mol
  • Monoisotopic Mass: 414.27700969g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 9
  • Complexity: 814
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.9
  • Topological Polar Surface Area: 74.6?2

2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(2-methyl-1-oxobutyl)- Security Information

2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(2-methyl-1-oxobutyl)- Related Literature

31769-60-5 (2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(2-methyl-1-oxobutyl)-) Related Products

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