(3S,5S,5A'S,7'S,8'S,8A'R)-5-(3-Furyl)-8'-Hydroxy-7'-Methyl-3',4,5,5',5A',7',8',8A'-Octahydrospiro[Furan-3,6'-Naphtho[1,8-Bc]Furan]-2,2'(4'H)-Dione

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Properties Simple | Detailed

Formula C19H20O6
IUPAC Name (1r,5's,8s,9s,10s,11s)-5'-(3-furyl)-11-hydroxy-10-methyl-spiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-tetrahydrofuran]-2',3-dione
Molecular Mass 344.359 g·mol−1
Heat of Formation -867.5 ± 16.7 kJ·mol−1
Dipole Moment 9.72 ± 1.08 D
Volume 385.75 Å 3
Surface Area 306.95 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (5as-(5'aalpha,6'beta(r*),7'beta,8'beta,8'aalpha))-5-(3-furanyl)-3',4,5,5',5'a,7',8',8'a-octahydro-8'-hydroxy-7'-methylspiro(furan-3(2h),6'-(6h)naphtho(1,8-bc)furan)-2,2'(4'h)-dione
  • spiro(furan-3(2h),6'-(6h)naphtho(1,8-bc)furan)-2,2'(4'h)-dione, 5-(3-furanyl)-3',4,5,5',5'a,7',8',8'a-octahydro-8'-hydroxy-7'-methyl-, (5as-(5'aalpha,6'beta(r*),7'beta,8'beta,8'aalpha))-
CAS Number(s)
  • 12798-51-5
InChIKey AONLJCCUYGGOSW-PJERILTQSA-N
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