9,13-Epoxylabd-7-En-15-Oic Acid

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Properties Simple | Detailed

Formula C20H32O3
IUPAC Name 2-[(2's,4as,8r,8as)-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 -761.8 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 417.52 Å 3
Surface Area 315.01 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 4.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2's,4as,8r,8as)-2',4,4,7,8a-pentamethyl-2'-spiro[2,3,4a,5-tetrahydro-1h-naphthalene-8,5'-tetrahydrofuran]yl]acetic acid
  • 2-[(2's,4as,8r,8as)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1h-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
  • 2-[(2's,4as,8r,8as)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1h-naphthalene-8,5'-oxolane]-2'-yl]ethanoic acid
  • 2-[(2's,4as,8r,8as)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1h-naphthalene-8,5'-tetrahydrofuran]-2'-yl]acetic acid
  • grindelic acid
  • labd-7-en-15-oic acid, 9,13-epoxy-
CAS Number(s)
  • 1438-57-9
InChIKey XLWWERNKTLITEF-MVJPYGJCSA-N
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