(2E,4E)-5-{(1R,2S,4As,5R,8R,8Ar)-2-[(2E)-2-Buten-2-Yl]-5-Hydroxy-3,8-Dimethyl-1,2,4A,5,6,7,8,8A-Octahydro-1-Naphthalenyl}-2,4-Pentadienoic Acid

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Formula C21H30O3
IUPAC Name (2e,4e)-5-[(1r,2s,4as,5r,8r,8ar)-5-hydroxy-3,8-dimethyl-2-[(e)-1-methylprop-1-enyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
Molecular Mass 330.461 g·mol−1
Heat of Formation -559.8 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 439.22 Å 3
Surface Area 361.2 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e)-5-[(1r,2s,4as,5r,8r,8ar)-2-[(e)-but-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
  • (2e,4e)-5-[(1r,2s,4as,5r,8r,8ar)-5-hydroxy-3,8-dimethyl-2-[(e)-1-methylprop-1-enyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
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