(6As,8R,9R,9Ar)-8,9-Dihydroxy-4-Methoxy-2,3,6A,8,9,9A-Hexahydrocyclopenta[C]Furo[3',2':4,5]Furo[2,3-H]Chromene-1,11-Dione

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Properties Simple | Detailed

Formula C17H14O8
IUPAC Name (6as,8r,9r,9ar)-8,9-dihydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
Molecular Mass 346.288 g·mol−1
Heat of Formation -1201.0 ± 16.7 kJ·mol−1
Dipole Moment 8.57 ± 1.08 D
Volume 358.87 Å 3
Surface Area 312.74 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-dihydro-2,3-dihydroxyaflatoxin b(1)
  • 2,3-dihydroxy-2,3-dihydroaflatoxin b1
  • aflatoxin b1-2,3-dihydrodiol
  • aflatoxin b1-2,3-diol
  • cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,8,9,9a-hexahydro-8,9-dihydroxy-4-methoxy-, (6as,8r,9r,9ar)-
  • cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,8,9,9a-hexahydro-8,9-dihydroxy-4-methoxy-, (6as-(6aalpha,8beta,9alpha,9aalpha))-
CAS Number(s)
  • 50668-79-6
InChIKey JRZBEIPOZPNWID-KFZJALRRSA-N
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