(3Ar,4S,9Ar)-6-Hydroxy-4-(4-Hydroxy-3-Methoxyphenyl)-7-Methoxy-3A,4,9,9A-Tetrahydronaphtho[2,3-C]Furan-1(3H)-One

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Properties Simple | Detailed

Formula C20H20O6
IUPAC Name (3ar,9s,9ar)-7-hydroxy-9-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1h-benzo[f]isobenzofuran-3-one
Molecular Mass 356.369 g·mol−1
Heat of Formation -835.1 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 409.57 Å 3
Surface Area 349.65 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,9s,9ar)-7-hydroxy-9-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1h-benzo[f]isobenzofuran-3-one
  • (3ar,9s,9ar)-7-hydroxy-9-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1h-naphtho[3,2-c]furan-3-one
  • (3ar,9s,9ar)-7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1h-benzo[f]isobenzofuran-3-one
  • (3ar,9s,9ar)-7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1h-naphtho[3,2-c]furan-3-one
  • naphtho[2,3-c]furan-1(3h)-one, 3a,4,9,9a-tetrahydro-6-hydroxy-4-(4-hydroxy- 3-methoxyphenyl)-7-methoxy-, (3ar,4s,9ar)-
InChIKey CAYMSCGTKZIVTN-TYILLQQXSA-N
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