[(2S,4A'R,5R,8A'R)-2',5,5',5',8A'-Pentamethyl-4,4A',5,5',6',7',8',8A'-Octahydro-3H,4'H-Spiro[Furan-2,1'-Naphthalen]-5-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C20H32O3
IUPAC Name 2-[(2'r,4ar,8s,8ar)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1h-naphthalene-8,5'-tetrahydrofuran]-2'-yl]acetic acid
Molecular Mass 320.466 g·mol−1
Heat of Formation -761.3 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 414.19 Å 3
Surface Area 316.54 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2'r,4ar,8s,8ar)-2',4,4,7,8a-pentamethyl-2'-spiro[2,3,4a,5-tetrahydro-1h-naphthalene-8,5'-tetrahydrofuran]yl]acetic acid
  • 2-[(2'r,4ar,8s,8ar)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1h-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
  • 2-[(2'r,4ar,8s,8ar)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1h-naphthalene-8,5'-oxolane]-2'-yl]ethanoic acid
  • 2-[(2'r,4ar,8s,8ar)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1h-naphthalene-8,5'-tetrahydrofuran]-2'-yl]acetic acid
InChIKey XLWWERNKTLITEF-XLNTUCKNSA-N
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