Blumenol A

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Properties Simple | Detailed

Formula C13H20O3
IUPAC Name (4s)-4-hydroxy-4-[(e,3r)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one
Molecular Mass 224.296 g·mol−1
Heat of Formation -570.5 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 295.45 Å 3
Surface Area 254.93 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-hydroxy-4-[(e,3r)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-1-cyclohex-2-enone
  • (4s)-4-hydroxy-4-[(e,3r)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one
  • (4s)-4-hydroxy-4-[(e,3r)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
  • vomifoliol
CAS Number(s)
  • 23526-45-6
InChIKey KPQMCAKZRXOZLB-KOIHBYQTSA-N
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