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

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Properties Simple | Detailed

Formula C22H24O7
IUPAC Name 5-[(3s,3ar,6s,6ar)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole
Molecular Mass 400.422 g·mol−1
Heat of Formation -864.8 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 455.45 Å 3
Surface Area 395.36 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-aschantin
  • 1,3-benzodioxole, 5-(tetrahydro-4-(3,4,5-(trimethoxyphenyl)-1h,3h-furo(3,4-c)furan-1-yl))-, (1s-(1alpha,3aalpha,4alpha,6aalpha))-
  • 1,3-benzodioxole, 5-[tetrahydro-4-(3,4,5-trimethoxyphenyl)-1h,3h-furo[3,4-c]furan-1-yl]-, (1s,3ar,4s,6ar)-
  • 5-(tetrahydro-4-(3,4,5-(trimethoxyphenyl)-1h,3h-furo(3,4-c)furan-1-yl))-1,3-benzodioxole (1s-(1alpha,3aalpha,4alpha,6aalpha))-
  • 5-[(1s,3ar,4s,6ar)-4-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-1,3-benzodioxole
  • acon1_000607
  • megxp0_000713
CAS Number(s)
  • 13060-15-6
InChIKey ONDWGDNAFRAXCN-VUEDXXQZSA-N
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