(3Ar,4As,5R,6R,7As,8R,9As)-5,6-Dihydroxy-4A,8-Dimethyl-3-Methylenedecahydroazuleno[6,5-B]Furan-2(3H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C15H22O4
IUPAC Name (3as,5r,5as,7r,8r,8as,9ar)-7,8-dihydroxy-5,8a-dimethyl-1-methylene-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[6,5-b]furan-2-one
Molecular Mass 266.333 g·mol−1
Heat of Formation -758.4 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 327.72 Å 3
Surface Area 273.63 Å 2
HOMO Energy -10.30 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,5r,5as,7r,8r,8as,9ar)-7,8-dihydroxy-5,8a-dimethyl-1-methylene-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[7,6-d]furan-2-one
  • (3as,5r,5as,7r,8r,8as,9ar)-7,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[7,6-d]furan-2-one
  • azuleno(6,5-b)furan-2(3h)-one, decahydro-5,6-dihydroxy-4a,8-dimethyl-3-methylene-, (3ar-(3aalpha,4abeta,5beta,6alpha,7aalpha,8alpha,9abeta))-
  • geigerinin
CAS Number(s)
  • 6902-72-3
InChIKey ZFCRHGITKWEXDY-PYIPDKOLSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O