(1S,6Ar,9As)-1-Hydroxy-4-Methoxy-2,3,6A,9A-Tetrahydrocyclopenta[C]Furo[3',2':4,5]Furo[2,3-H]Chromen-11(1H)-One

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Properties Simple | Detailed

Formula C17H15O6+
IUPAC Name (1s,6ar,9as)-1-hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1h)-one
Molecular Mass 315.297 g·mol−1
Heat of Formation -760.4 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 333.81 Å 3
Surface Area 297.13 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
Synonyms
  • (1s-(1alpha,6abeta,9abeta))-2,3,6a,9a-tetrahydro-1-hydroxy-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-11(1h)-one
  • aflatoxicol natural epimer
  • aflatoxin ro
  • cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-11(1h)-one, 2,3,6a,9a-tetrahydro-1-hydroxy-4-methoxy-, (1s,6ar,9as)-
CAS Number(s)
  • 29611-03-8
InChIKey WYIWLDSPNDMZIT-IRWWLHRVSA-N
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