(1Ar,2R,2Ar,4As,4Br,5R,9Bs,9Cs)-2,5-Dihydroxy-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 C19H23O7+
IUPAC Name (1ar,2r,2ar,4as,4br,5r,9bs,9cs)-2,5-dihydroxy-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 363.382 g·mol−1
Heat of Formation -1049.5 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 399.7 Å 3
Surface Area 321.04 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • nagilactone c
  • podolactone b, 7, 8-deepoxy-8,14-didehydro-15,16-dideoxy-7-hydroxy-, (7.beta.)-
  • podolactone b, 7,8-deepoxy-8,14-didehydro-15,16-dideoxy-7-hydroxy-, (1alpha,2alpha,7beta)-
CAS Number(s)
  • 24338-53-2
InChIKey DGNOPGIIPQKNHD-RSKPZANQSA-N
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