(1As,2R,2Ar,4Ar,4Br,9Bs,9Cr)-2-Hydroxy-6-Isopropyl-2A,9B-Dimethyl-1A,2,2A,4A,4B,5,9B,9C-Octahydro-3H,8H-Oxireno[5,6][2]Benzofuro[7,1-Fg]Isochromene-3,8-Dione

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Formula C19H23O6+
IUPAC Name (1as,2r,2ar,4ar,4br,9bs,9cr)-2-hydroxy-6-isopropyl-2a,9b-dimethyl-1a,2,2a,4a,4b,5,9b,9c-octahydro-3h,8h-oxireno[5,6][2]benzofuro[7,1-fg]isochromene-3,8-dione
Molecular Mass 347.382 g·mol−1
Heat of Formation -904.4 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 388.67 Å 3
Surface Area 316.99 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • hallactone a
CAS Number(s)
  • 41787-72-8
InChIKey WXJASYTWXBVSQZ-UOMNFSLCSA-N
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Elements H C O