(6As,7As,8Ar,8Br)-4-Methoxy-2,3,6A,7A,8A,8B-Hexahydrocyclopenta[C]Oxireno[4',5']Furo[3',2':4,5]Furo[2,3-H]Chromene-1,10-Dione

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Formula C17H12O7
IUPAC Name (6as,7as,8ar,8br)-4-methoxy-2,3,6a,7a,8a,8b-hexahydrocyclopenta[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-h]chromene-1,10-dione
Molecular Mass 328.273 g·mol−1
Heat of Formation -800.8 ± 16.7 kJ·mol−1
Dipole Moment 9.04 ± 1.08 D
Volume 335.54 Å 3
Surface Area 300.27 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 1.61 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-epoxyaflatoxin b1
  • aflatoxin b1 2,3-epoxide
  • aflatoxin b1 8,9-epoxide
  • aflatoxin b1 8,9-oxide
  • aflatoxin b1 epoxide
  • aflatoxin b1 exo-8,9-epoxide
  • aflatoxin b1 exo-8,9-oxide
  • aflatoxin b1-2,3-oxide
  • cyclopent(c)oxireno(4',5')furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,10-dione, 2,3,6a,7a,8a,8b-hexahydro-4-methoxy-, (6as,7as,8ar,8br)-
  • cyclopent(c)oxireno(4',5')furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,10-dione, 2,3,6a,7a,8a,8b-hexahydro-4-methoxy-, (6as-(6a-alpha,7a-beta,8a-beta,8b-alpha))-
  • exo-aflatoxin b1-8,9-epoxide
CAS Number(s)
  • 67337-06-8
  • 90358-59-1
  • 42583-46-0
  • 117859-29-7
InChIKey KHBXRZGALJGBPA-IRWJRLHMSA-N
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