(3R,3As,6R,6Ar)-3-(3-Hydroxy-4,5-Dimethoxyphenyl)-6-(3-Hydroxy-5-Methoxyphenyl)Tetrahydro-1H,3H-Furo[3,4-C]Furan-1-One

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Properties Simple | Detailed

Formula C21H22O8
IUPAC Name (3r,3ar,6r,6as)-6-(3-hydroxy-4,5-dimethoxy-phenyl)-3-(3-hydroxy-5-methoxy-phenyl)-3,3a,6,6a-tetrahydro-1h-furo[3,4-c]furan-4-one
Molecular Mass 402.395 g·mol−1
Heat of Formation -1148.0 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 451.35 Å 3
Surface Area 394.93 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3as,4r,6ar)-4-(3-hydroxy-4,5-dimethoxy-phenyl)-1-(3-hydroxy-5-methoxy-phenyl)-3,3a,4,6a-tetrahydro-1h-furo[3,4-c]furan-6-one
  • (1r,3as,4r,6ar)-4-(3-hydroxy-4,5-dimethoxyphenyl)-1-(3-hydroxy-5-methoxyphenyl)-3,3a,4,6a-tetrahydro-1h-furo[3,4-c]furan-6-one
InChIKey JTDVCRMQMDJLOR-OAOYMFHYSA-N
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