Cas no 142628-20-4 (2,4-Cyclohexadien-1-one,3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxopropyl)-)

2,4-Cyclohexadien-1-one,3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxopropyl)- structure
142628-20-4 structure
Product Name:2,4-Cyclohexadien-1-one,3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxopropyl)-
CAS No:142628-20-4
MF:C20H28O5
MW:348.433326721191
CID:225996
PubChem ID:196915
Update Time:2025-04-19

2,4-Cyclohexadien-1-one,3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxopropyl)- Chemical and Physical Properties

Names and Identifiers

    • 2,4-Cyclohexadien-1-one,3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxopropyl)-
    • 2,4-Cyclohexadien-1-one,3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxopropy...
    • 3,5,6-trihydroxy-4,6-bis(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
    • Cohumulone
    • 5-(alpha,beta-Dibromophenethyl)-5-methylhydantoin
    • (-)-3,4,5-TRIHYDROXY-2,4-BIS(3-METHYL-2-BUTEN-1-YL)-6-(2-METHYL-1-OXOPROPYL)-2,5-CYCLOHEXADIEN-1-ONE
    • DRSITEVYZGOOQG-UHFFFAOYSA-N
    • Q27893896
    • 142628-20-4
    • CHEBI:175443
    • SCHEMBL317724
    • 2,5-Cyclohexadien-1-one, 3,4,5-trihydroxy-2-isobutyryl-4,6-bis(3-methyl-2-butenyl)-
    • GTPL12422
    • Q2981886
    • SCHEMBL13629034
    • DTXSID20931549
    • UNII-2Y34G4NIC8
    • DTXSID701318500
    • 3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
    • 2Y34G4NIC8
    • 2,5-CYCLOHEXADIEN-1-ONE, 3,4,5-TRIHYDROXY-2,4-BIS(3-METHYL-2-BUTEN-1-YL)-6-(2-METHYL-1-OXOPROPYL)-, (-)-
    • COHUMULONE, (-)-
    • 511-25-1
    • (+/-)-cohumulone
    • 3,4,5-Trihydroxy-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-2,5-cyclohexadien-1-one, 9CI
    • NS00094537
    • Inchi： 1S/C20H28O5/c1-11(2)7-8-14-17(22)15(16(21)13(5)6)19(24)20(25,18(14)23)10-9-12(3)4/h7,9,13,22-23,25H,8,10H2,1-6H3
    • InChI Key： DRSITEVYZGOOQG-UHFFFAOYSA-N
    • SMILES： OC1(C(C(C(C(C)C)=O)=C(C(C/C=C(\C)/C)=C1O)O)=O)C/C=C(\C)/C

Computed Properties

  • Exact Mass: 348.19374
  • Monoisotopic Mass: 348.19367399g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 6
  • Complexity: 696
  • 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: 4
  • Topological Polar Surface Area: 94.8?2

Experimental Properties

  • PSA: 94.83

2,4-Cyclohexadien-1-one,3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxopropyl)- Related Literature

Related Categories

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