(3R,3As,8Ar)-3-Hydroxy-3-Isopropyl-6,8A-Dimethyl-1,2,3,3A,4,5,8,8A-Octahydro-4-Azulenyl 4-Hydroxybenzoate

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Formula C22H30O4
IUPAC Name [(3r,3as,4r,8ar)-3-hydroxy-6,8a-dimethyl-3-(1-methylethyl)-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
Molecular Mass 358.471 g·mol−1
Heat of Formation -782.5 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 451.92 Å 3
Surface Area 355.45 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
InChIKey CYSHNJQMYORNJI-LGGPRVQUSA-N
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