(4R,6S)-4-Hydroxy-6-[(2S)-2-Hydroxy-6-Methyl-5-Hepten-2-Yl]-3-Methyl-2-Cyclohexen-1-One

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Properties Simple | Detailed

Formula C15H24O3
IUPAC Name (4r,6s)-4-hydroxy-6-[(1s)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-3-methyl-cyclohex-2-en-1-one
Molecular Mass 252.349 g·mol−1
Heat of Formation -646.3 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 335.11 Å 3
Surface Area 288.02 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,6s)-4-hydroxy-6-[(1s)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-3-methyl-cyclohex-2-en-1-one
  • (4r,6s)-4-hydroxy-6-[(1s)-1-hydroxy-1,5-dimethylhex-4-enyl]-3-methyl-1-cyclohex-2-enone
  • (4r,6s)-4-hydroxy-6-[(2s)-2-hydroxy-6-methyl-hept-5-en-2-yl]-3-methyl-cyclohex-2-en-1-one
  • (4r,6s)-4-hydroxy-6-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one
  • 2-cyclohexen-1-one, 4-hydroxy-6-(1-hydroxy-1,5-dimethyl-4-4-hexenyl)-3-methyl-, (4r-(4alpha,6beta(s*)))-
  • 4-hydroxyhernandulcin
CAS Number(s)
  • 145385-64-4
InChIKey ABUUSHLXFTWWDH-NFAWXSAZSA-N
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