(3As,4R,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,9r,9as)-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 -848.9 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 404.19 Å 3
Surface Area 345.66 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-.alpha.-conidendrin
  • (-)-alpha-conidendrin
  • (3ar,9r,9as)-7-hydroxy-9-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1h-benzo[f]isobenzofuran-3-one
  • (3ar,9r,9as)-7-hydroxy-9-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1h-naphtho[3,2-c]furan-3-one
  • (3ar,9r,9as)-7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1h-benzo[f]isobenzofuran-3-one
  • (3ar,9r,9as)-7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1h-naphtho[3,2-c]furan-3-one
  • .alpha.-conidendrin
  • alpha-coniodendrin
  • conidendrin, alpha-
  • naphtho(2,3-c)furan-1(3h)-one, 3a,4,9,9a-tetrahydro-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-, (3ar-(3aalpha,4alpha,9abeta))- (9ci)
  • naphtho[2,3-c]furan-1(3h)-one, 3a,4,9,9a-tetrahydro-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-, [3ar-(3a.alpha.,4.alpha.,9a.beta.)]-
CAS Number(s)
  • 518-55-8
InChIKey CAYMSCGTKZIVTN-PJIJBLCYSA-N
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