Cis-Iso-Humulone

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Properties Simple | Detailed

Formula C21H30O5
IUPAC Name (4r,5s)-3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one
Molecular Mass 362.460 g·mol−1
Heat of Formation -915.5 ± 16.7 kJ·mol−1
Dipole Moment 6.61 ± 1.08 D
Volume 464.99 Å 3
Surface Area 378.57 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5s)-3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one
  • (4r,5s)-3,4-dihydroxy-2-isovaleryl-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one
  • (4r,5s)-3,4-dihydroxy-5-(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopent-3-enyl)-1-cyclopent-2-enone
InChIKey QARXXMMQVDCYGZ-VFNWGFHPSA-N
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