(3R,3A'R,4'S,7A'R)-3A',4'-Dimethyl-4-Methylenedecahydrospiro[Furan-3,2'-Inden]-2-One

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Formula C15H22O2
IUPAC Name (2r,3ar,7s,7ar)-7,7a-dimethyl-4'-methylene-spiro[3,3a,4,5,6,7-hexahydro-1h-indene-2,3'-tetrahydrofuran]-2'-one
Molecular Mass 234.334 g·mol−1
Heat of Formation -424.5 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 304.09 Å 3
Surface Area 251.4 Å 2
HOMO Energy -10.34 ± 0.55 eV
LUMO Energy 0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3ar,7s,7ar)-7,7a-dimethyl-4'-methylene-2'-spiro[3,3a,4,5,6,7-hexahydro-1h-indene-2,3'-tetrahydrofuran]one
  • (2r,3ar,7s,7ar)-7,7a-dimethyl-4'-methylene-spiro[3,3a,4,5,6,7-hexahydro-1h-indene-2,3'-tetrahydrofuran]-2'-one
  • (2r,3ar,7s,7ar)-7,7a-dimethyl-4'-methylidene-spiro[3,3a,4,5,6,7-hexahydro-1h-indene-2,3'-oxolane]-2'-one
  • (2r,3ar,7s,7ar)-7,7a-dimethyl-4'-methylidenespiro[3,3a,4,5,6,7-hexahydro-1h-indene-2,3'-oxolane]-2'-one
  • bakkenolide a
  • fukinanolide
  • spiro(furan-3(2h),2'-(2h)inden)-2-one, decahydro-3'a,4'-dimethyl-4-methylene-, (2'r-(2'alpha,3'aalpha,4'alpha,7'aalpha))- (9ci)
  • spiro(furan-3(2h),2'-indan)-2-one, 3'a,4,4',5,5',6',7',7'abeta-octahydro-3'abeta,4'beta-dimethyl-4-methylene-, (2'r)- (8ci)
CAS Number(s)
  • 19906-72-0
InChIKey OVXAYHNZXBOVPV-QMGNLALYSA-N
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