Warburganal

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Formula C15H22O3
IUPAC Name (1s,4as,8as)-1-hydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4h-naphthalene-1,2-dicarbaldehyde
Molecular Mass 250.333 g·mol−1
Heat of Formation -532.3 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 311.79 Å 3
Surface Area 253.78 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,8as)-1-hydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4h-naphthalene-1,2-dicarboxaldehyde
  • 1,2-naphthalenedicarboxaldehyde, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, (1alpha,4aalpha,8abeta)-
  • rel-(1r,4ar,8ar)-1-hydroxy-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarbaldehyde
CAS Number(s)
  • 62994-47-2
  • 10-25-3
InChIKey QGMWDUUHVVLHNP-AEGPPILISA-N
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