(R)-Humulone

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Properties Simple | Detailed

Formula C21H30O5
IUPAC Name (6r)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
Molecular Mass 362.460 g·mol−1
Heat of Formation -981.5 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 459.54 Å 3
Surface Area 367.81 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (6r)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
  • (6r)-3,5,6-trihydroxy-2-isovaleryl-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
  • (6r)-3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)-1-cyclohexa-2,4-dienone
CAS Number(s)
  • 23510-81-8
InChIKey VMSLCPKYRPDHLN-OAQYLSRUSA-N
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