6-[(1S,3Ar,4S,6Ar)-4-(1,3-Benzodioxol-5-Yl)Tetrahydro-1H,3H-Furo[3,4-C]Furan-1-Yl]-1,3-Benzodioxol-5-Ol

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Properties Simple | Detailed

Formula C20H18O7
IUPAC Name 6-[(3s,3ar,6s,6ar)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-ol
Molecular Mass 370.353 g·mol−1
Heat of Formation -835.0 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 402.55 Å 3
Surface Area 351.41 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (1s-(1alpha,3aalpha,4alpha,6aalpha))-6-(4-(1,3-benzodioxol-5-yl)tetrahydro-1h,3h-furo(3,4-c)furan-1-yl)-1,3-benzodioxol-5-ol
  • 1,3-benzodioxol-5-ol, 6-(4-(1,3-benzodioxol-5-yl)tetrahydro-1h,3h-furo(3,4-c)furan-1-yl)-, (1s-(1alpha,3aalpha,4alpha,6aalpha))-
  • 6-[(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-benzodioxol-5-ol
  • sesaminol
CAS Number(s)
  • 74061-79-3
InChIKey KQRXQIPRDKVZPW-ISZNXKAUSA-N
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