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Isocohumulone

Isocohumulone structure

Isocohumulone 

structure
  • CAS No:

    25269-20-9

  • Formula:

    C20H28O5

  • Chemical Name:

    Isocohumulone

  • Synonyms:

    2-Cyclopenten-1-one,3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)-4-(4-methyl-1-oxo-3-penten-1-yl)-2-(2-methyl-1-oxopropyl)-;Isocohumulone;3-Penten-1-one,1-[1,2-dihydroxy-3-isobutyryl-5-(3-methyl-2-butenyl)-4-oxo-2-cyclopenten-1-yl]-4-methyl-;2-Cyclopenten-1-one,3,4-dihydroxy-5-(3-methyl-2-butenyl)-4-(4-methyl-1-oxo-3-pentenyl)-2-(2-methyl-1-oxopropyl)-;3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)-4-(4-methyl-1-oxo-3-penten-1-yl)-2-(2-methyl-1-oxopropyl)-2-cyclopenten-1-one;510-16-7;17812-72-5

Isocohumulone Basic Attributes

348.4 g/mol

348.43

246-780-8

Characteristics

91.7 Ų

Drug Information

cis-isocohumulone

Computed Properties

Molecular Weight:348.4
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:348.19367399
Monoisotopic Mass:348.19367399
Topological Polar Surface Area:91.7
Heavy Atom Count:25
Complexity:670
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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