(2E,4E)-5-[(1R,7S,8S,9R)-7-Acetoxy-4,9-Dimethyl-3,11-Dioxo-10-Oxatricyclo[6.3.2.0~1,7~]Tridec-4-En-9-Yl]-2-Methyl-2,4-Pentadienoic Acid

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Properties Simple | Detailed

Formula C22H26O7
IUPAC Name (2e,4e)-5-[(1r,7s,8s,9r)-7-acetoxy-4,9-dimethyl-3,11-dioxo-10-oxatricyclo[6.3.2.0 1,7 ]tridec-4-en-9-yl]-2-methyl-2,4-pentadienoic acid
Molecular Mass 402.438 g·mol−1
Heat of Formation -1184.9 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 477.23 Å 3
Surface Area 371.84 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-pentadienoic acid, 5-[(3r,4s,4as,9ar)-4a-(acetyloxy)-3,4,4a,5,8,9-hexahydro-3,7-dimethyl-1,8-dioxo-1h-4,9a-ethanocyclohepta[c]pyran-3-yl]-2-methyl-, (2e,4e)-
  • 5-(7-acetoxy-4,9-dimethyl-3,11-dioxo-10-oxa-tricyclo[6.3.2.01,7]tridec-4-en-9-yl)-2-methyl-penta-2,4-dienoic acid
  • pseudolaric acid f
  • rel-(2e,4e)-5-[(3r,4s,4as,9ar)-4a-(acetyloxy)-3,7-dimethyl-1,8-dioxo-3,4,4a,5,8,9-hexahydro-4,9a-ethanocyclohepta[c]pyran-3-yl]-2-methylpenta-2,4-dienoic acid
InChIKey UBHOILGODYTXTA-MRFLEFCVSA-N
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