Methyl (1S,4Ar,5S,8Ar)-1,4A-Dimethyl-6-Methylene-5-[2-(2-Oxo-2,5-Dihydro-3-Furanyl)Ethyl]Decahydro-1-Naphthalenecarboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H30O4
IUPAC Name methyl (1s,4ar,5s,8ar)-1,4a-dimethyl-6-methylene-5-[2-(5-oxo-2h-furan-4-yl)ethyl]decalin-1-carboxylate
Molecular Mass 346.461 g·mol−1
Heat of Formation -739.9 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 435.56 Å 3
Surface Area 350.39 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4ar,5s,8ar)-1,4a-dimethyl-6-methylene-5-[2-(2-oxo-5h-furan-3-yl)ethyl]-1-decalincarboxylic acid methyl ester
  • (1s,4ar,5s,8ar)-5-[2-(2-keto-5h-furan-3-yl)ethyl]-1,4a-dimethyl-6-methylene-decalin-1-carboxylic acid methyl ester
  • 1-naphthalenecarboxylic acid, 5-(2-(2,5-dihydro-2-oxo-3-furanyl)ethyl)decahydro-1,4a-dimethyl-6-methylene-, methyl ester, (1s-(1alpha,4aalpha,5alpha,8abeta))-
  • methyl (1s,4ar,5s,8ar)-1,4a-dimethyl-6-methylene-5-[2-(2-oxo-5h-furan-3-yl)ethyl]decalin-1-carboxylate
  • methyl (1s,4ar,5s,8ar)-1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-5h-furan-3-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2h-naphthalene-1-carboxylate
  • pinusolide
CAS Number(s)
  • 31685-80-0
InChIKey WTKBZJAWPZXKJU-NLEAXPPASA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O