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

Molecule SVG Image

Properties Simple | Detailed

Formula C17H13O7+
IUPAC Name (3s,6ar,9as)-3-hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
Molecular Mass 329.281 g·mol−1
Heat of Formation -862.7 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 340.16 Å 3
Surface Area 299.66 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • aflatoxin q1
  • cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-3-hydroxy-4-methoxy-, (3s,6ar,9as)-
  • cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-3-hydroxy-4-methoxy-, (3s-(3-alpha,6a-alpha,9a-alpha))-
CAS Number(s)
  • 52819-96-2
InChIKey GYNOTJLCULOEIM-XKRJZGAWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O