4-Hydroxy-3-{[(1R,4As,5R,8As)-2,5,8A-Trimethyl-5-(4-Methyl-3-Penten-1-Yl)-1,4,4A,5,6,7,8,8A-Octahydro-1-Naphthalenyl]Methyl}Benzoic Acid

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Properties Simple | Detailed

Formula C27H38O3
IUPAC Name 3-[[(1r,4as,5r,8as)-2,5,8a-trimethyl-5-(4-methylpent-3-enyl)-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-hydroxy-benzoic acid
Molecular Mass 410.589 g·mol−1
Heat of Formation -656.3 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 540.54 Å 3
Surface Area 432.05 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey IIMZFSAVKIVVHG-PPKJMBTNSA-N
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