(4As,5S,6R,8Ar)-5-[2-(3-Furyl)Ethyl]-5,6-Dimethyl-3,4,4A,5,6,7,8,8A-Octahydro-1-Naphthalenecarboxylic Acid

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Formula C19H26O3
IUPAC Name (4as,5s,6r,8ar)-5-[2-(3-furyl)ethyl]-5,6-dimethyl-4,4a,6,7,8,8a-hexahydro-3h-naphthalene-1-carboxylic acid
Molecular Mass 302.408 g·mol−1
Heat of Formation -530.7 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 386.01 Å 3
Surface Area 318.83 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.00 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,5s,6r,8ar)-5-(2-furan-3-ylethyl)-5,6-dimethyl-4,4a,6,7,8,8a-hexahydro-3h-naphthalene-1-carboxylic acid
  • (4as,5s,6r,8ar)-5-[2-(3-furyl)ethyl]-5,6-dimethyl-4,4a,6,7,8,8a-hexahydro-3h-naphthalene-1-carboxylic acid
  • (7s,8r)-7-(2-(3-furyl)ethyl)-7,8-dimethylbicyclo[4.4.0]dec-2-ene-2-carboxylic acid
  • hardwickiic acid
InChIKey XHDJKYCUHDIYRE-UJNZZBMASA-N
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