Epi-Sesamin

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Properties Simple | Detailed

Formula C20H18O6
IUPAC Name 5-[(3r,3as,6s,6as)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
Molecular Mass 354.353 g·mol−1
Heat of Formation -649.0 ± 16.7 kJ·mol−1
Dipole Moment 1.40 ± 1.08 D
Volume 390.54 Å 3
Surface Area 338.15 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(1r,3as,4s,6as)-4-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-1,3-benzodioxole
InChIKey PEYUIKBAABKQKQ-FQZPYLGXSA-N
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