(3R,5S,5A'S,7'R,8A'S)-5-(3-Furyl)-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 C19H20O5
IUPAC Name (3r,5s,5a's,7'r,8a's)-5-(3-furyl)-7'-methyl-3',4,5,5',5a',7',8',8a'-octahydrospiro[furan-3,6'-naphtho[1,8-bc]furan]-2,2'(4'h)-dione
Molecular Mass 328.359 g·mol−1
Heat of Formation -696.2 ± 16.7 kJ·mol−1
Dipole Moment 8.21 ± 1.08 D
Volume 376.86 Å 3
Surface Area 302.09 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • mallotucin a
  • 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-7'-methyl-, (3r,5s,5'as,7'r,8'as)-
  • 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-7'-methyl-, (5'as-(5'aalpha,6'beta(r*),7'beta,8'aalpha))-
CAS Number(s)
  • 51918-98-0
InChIKey XJRMFKRYVTYFPN-UISQBHBMSA-N
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