Pseudolaric Acid A

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Properties Simple | Detailed

Formula C22H28O6
IUPAC Name (2e,4e)-5-[(1r,7s,8s,9r)-7-acetoxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methyl-penta-2,4-dienoic acid
Molecular Mass 388.454 g·mol−1
Heat of Formation -1078.6 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 473.05 Å 3
Surface Area 371.51 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-pentadienoic acid, 5-(4a-(acetyloxy)-3,4,4a,5,6,9-hexahydro-3,7-dimethyl-1-oxo-1h-4,9a-ethanocyclohepta(c)pyran-3-yl)-2-methyl-, (3alpha(2e,4e),4alpha,4aalpha,9aalpha)-(-)-
  • 2,4-pentadienoic acid, 5-(4a-(acetyloxyl)-3,4,4a,5,6,9-hexahydro-3,7-dimethyl-1-oxo-1h-4,9a-ethanocyclohepta(c)pyran-3-yl)-2-methyl-, (3-alpha(2e,4e),4-alpha,9a-alpha)-(-)- (9ci)
CAS Number(s)
  • 82508-32-5
InChIKey GOHMRMDXUXWCDQ-MPVZDDSSSA-N
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