(7R,8S)-7,8-Dihydroxy-3,7-Dimethyl-6-Oxo-7,8-Dihydro-6H-Isochromene-5-Carbaldehyde

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Properties Simple | Detailed

Formula C12H12O5
IUPAC Name (7r,8s)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carbaldehyde
Molecular Mass 236.221 g·mol−1
Heat of Formation -714.3 ± 16.7 kJ·mol−1
Dipole Moment 6.51 ± 1.08 D
Volume 260.87 Å 3
Surface Area 236.68 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • (7r,8s)-7,8-dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-6h-2-benzopyran-5-carbaldehyde
  • (7r,8s)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carbaldehyde
  • (7r,8s)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carboxaldehyde
  • (7r,8s)-7,8-dihydroxy-6-keto-3,7-dimethyl-8h-isochromene-5-carbaldehyde
  • (7r-e)-7,8-dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-6h-2-benzopyran-5-carboxaldehyde
  • 6h-2-benzopyran-5-carboxaldehyde, 7,8-dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-,
  • 6h-2-benzopyran-5-carboxaldehyde, 7,8-dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-, (7r-trans)-
  • austadiol
  • austdiol
  • austidiol
CAS Number(s)
  • 53043-28-0
InChIKey QVMUHZHZYCDMAI-RYUDHWBXSA-N
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