(2R,2'R,4A'S,6'S,8A'S)-2',5',5',8A'-Tetramethyl-5-Oxodecahydro-2'H,3H-Spiro[Furan-2,1'-Naphthalen]-6'-Yl Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C19H30O4
IUPAC Name [(2s,4as,5r,6r,8as)-1,1,4a,6-tetramethyl-5'-oxo-spiro[decalin-5,2'-tetrahydrofuran]-2-yl] acetate
Molecular Mass 322.439 g·mol−1
Heat of Formation -954.5 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 403.01 Å 3
Surface Area 320.46 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy 1.20 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,4as,5r,6r,8as)-1,1,4a,6-tetramethyl-5'-oxo-spiro[3,4,6,7,8,8a-hexahydro-2h-naphthalene-5,2'-oxolane]-2-yl] ethanoate
  • [(2s,4as,5r,6r,8as)-1,1,4a,6-tetramethyl-5'-oxo-spiro[decalin-5,2'-tetrahydrofuran]-2-yl] acetate
  • [(2s,4as,5r,6r,8as)-1,1,4a,6-tetramethyl-5'-oxospiro[3,4,6,7,8,8a-hexahydro-2h-naphthalene-5,2'-oxolane]-2-yl] acetate
  • acetic acid [(2s,4as,5r,6r,8as)-1,1,4a,6-tetramethyl-5'-oxo-2-spiro[decalin-5,2'-tetrahydrofuran]yl] ester
  • acetic acid [(2s,4as,5r,6r,8as)-5'-keto-1,1,4a,6-tetramethyl-spiro[decalin-5,2'-tetrahydrofuran]-2-yl] ester
InChIKey HBMMUGYRQKNIBQ-SZQWKIALSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O