(-)-Hardwickiic Acid

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Formula C20H28O3
IUPAC Name (4as,5r,6s,8as)-5-[2-(3-furyl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Molecular Mass 316.435 g·mol−1
Heat of Formation -540.1 ± 16.7 kJ·mol−1
Dipole Moment 1.88 ± 1.08 D
Volume 406.88 Å 3
Surface Area 326.14 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,5r,6s,8as)-5-(2-furan-3-ylethyl)-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
  • (4as,5r,6s,8as)-5-[2-(3-furyl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
  • 1-naphthalenecarboxylic acid, 5-(2-(3-furanyl)ethyl)-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-, (4as-(4aalpha,5alpha,6beta,8abeta))-
  • hardwickic acid
CAS Number(s)
  • 24470-47-1
InChIKey HHWOKJDCJVESIF-GIPAHHNCSA-N
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