4-[(1S,3Ar,4S,6Ar)-4-(4-Hydroxy-3-Methoxyphenyl)Tetrahydro-1H,3H-Furo[3,4-C]Furan-1-Yl]-2,6-Dimethoxyphenol

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Properties Simple | Detailed

Formula C21H24O7
IUPAC Name 4-[(3s,3ar,6s,6ar)-3-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxy-phenol
Molecular Mass 388.411 g·mol−1
Heat of Formation -979.6 ± 16.7 kJ·mol−1
Dipole Moment 1.53 ± 1.08 D
Volume 443.84 Å 3
Surface Area 390.84 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(1s,3ar,4s,6ar)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol
  • 4-[(1s,3ar,4s,6ar)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol
CAS Number(s)
  • 40957-99-1
InChIKey VJOBNGRIBLNUKN-BMHXQBNDSA-N
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