(3As,12Cr)-8-Hydroxy-6,11-Dimethoxy-3A,12C-Dihydro-7H-Furo[3',2':4,5]Furo[2,3-C]Xanthen-7-One

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Formula C19H14O7
IUPAC Name (3as,12cr)-8-hydroxy-6,11-dimethoxy-3a,12c-dihydro-7h-furo[3',2':4,5]furo[2,3-c]xanthen-7-one
Molecular Mass 354.310 g·mol−1
Heat of Formation -761.1 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 376.23 Å 3
Surface Area 324.77 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 5 or 7 methoxysterigmatocystin
  • 5-methoxysterigmatocysin
  • 5-methoxysterigmatocystin
  • 5-ms
  • 7h-furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 3a,12c-dihydro-6,11-dimethoxy-8-hydroxy-, (3ar-cis)-
  • 7h-furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6,11-dimethoxy-, (3ar-cis)- (8ci)(9ci)
CAS Number(s)
  • 50884-19-0
  • 22897-08-1
InChIKey VVRUNWFPOWIBDY-YLVJLNSGSA-N
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