Bolinaquinone

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Properties Simple | Detailed

Formula C22H30O4
IUPAC Name 3-[[(1r,2r,4as,8as)-1,2,4a,5-tetramethyl-1,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl]-2-hydroxy-5-methoxy-1,4-benzoquinone
Molecular Mass 358.471 g·mol−1
Heat of Formation -629.6 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 445.79 Å 3
Surface Area 354.39 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[(1r,2r,4as,8as)-1,2,4a,5-tetramethyl-1,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl]-2-hydroxy-5-methoxy-1,4-benzoquinone
  • 3-[[(1r,2r,4as,8as)-1,2,4a,5-tetramethyl-1,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl]-2-hydroxy-5-methoxy-cyclohexa-2,5-diene-1,4-dione
  • 3-[[(1r,2r,4as,8as)-1,2,4a,5-tetramethyl-1,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl]-2-hydroxy-5-methoxy-p-benzoquinone
  • 3-[[(1r,2r,4as,8as)-1,2,4a,5-tetramethyl-1,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
InChIKey PYUXUMSQSVWNDS-NSAJDELNSA-N
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