(3As,5R)-7-Methoxy-1,5,8-Trimethyl-4,5-Dihydronaphtho[2,1-B]Furan-2(3Ah)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C16H18O3
IUPAC Name (3as,5r)-7-methoxy-1,5,8-trimethyl-4,5-dihydro-3ah-benzo[e]benzofuran-2-one
Molecular Mass 258.312 g·mol−1
Heat of Formation -441.9 ± 16.7 kJ·mol−1
Dipole Moment 6.87 ± 1.08 D
Volume 314.56 Å 3
Surface Area 282.95 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,5r)-7-methoxy-1,5,8-trimethyl-4,5-dihydro-3ah-benzo[e][1]benzoxol-2-one
  • (3as,5r)-7-methoxy-1,5,8-trimethyl-4,5-dihydro-3ah-benzo[e]benzofuran-2-one
  • heritonin
CAS Number(s)
  • 123914-48-7
InChIKey CEVWVTGBJBHAMO-CLAHSXSESA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O