(3S,3As,5As,9Bs)-3,5A,9-Trimethyl-3A,5,5A,6,7,9B-Hexahydronaphtho[1,2-B]Furan-2,8(3H,4H)-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C15H20O3
IUPAC Name (3s,3as,5as,9bs)-3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3h-benzo[g]benzofuran-2,8-dione
Molecular Mass 248.317 g·mol−1
Heat of Formation -561.3 ± 16.7 kJ·mol−1
Dipole Moment 6.90 ± 1.08 D
Volume 306.41 Å 3
Surface Area 259.21 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,3as,5as,9bs)-3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3h-benzo[g]benzofuran-2,8-dione
  • (3s,3as,5as,9bs)-3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3h-benzo[g]benzofuran-2,8-quinone
  • (3s,3as,5as,9bs)-3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3h-naphtho[7,8-d]furan-2,8-dione
  • 1,2-dihydro-alpha-santonin
  • naphtho(1,2-b)furan-2,8(3h,4h)-dione, 3a,5,5a,6,7,9b-hexahydro-3,5a,9-trimethyl-, (3s-(3alpha,3aalpha,5abeta,9bbeta))-
CAS Number(s)
  • 18409-93-3
  • 42807-12-5
InChIKey TYHGCPJCCQBRMP-BOCCBSBMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O