Pseudocubebin

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Properties Simple | Detailed

Formula C20H18O6
IUPAC Name 5-[(3s,3ar,6s,6ar)-6-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole
Molecular Mass 354.353 g·mol−1
Heat of Formation -653.7 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 391.95 Å 3
Surface Area 343.44 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-segamin
  • (+)-sesamin
  • 1,3-benzodioxole, 5,5'-(tetrahydro-1h,3h-furo(3,4-c)furan-1,4-diyl)bis-, (1s-(1alpha,3a alpha,4alpha,6a alpha))-
  • 1,3-benzodioxole, 5,5'-(tetrahydro-1h,3h-furo[3,4-c]furan-1,4-diyl)bis-, (1s,3ar,4s,6ar)-
  • 1h,3h-furo(3,4-c)furan, tetrahydro-1,4-bis(3,4-(methylenedioxy)phenyl)-, (1s,3ar,4s,6ar)- (8ci)
  • 5-[(1s,3ar,4s,6ar)-4-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-1,3-benzodioxole
  • acon0_000323
  • acon1_002421
  • d-(+)-sesamin
  • episesamin
  • sesamin
  • sezamin
CAS Number(s)
  • 607-80-7
InChIKey PEYUIKBAABKQKQ-AFHBHXEDSA-N
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