4-(Decanoyloxy)-5-Methyl-7-Oxo-8-(3-Oxo-1-Propen-2-Yl)-3,4,4A,5,6,7,8,8A-Octahydro-2-Naphthalenecarboxylic Acid

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Properties Simple | Detailed

Formula C25H36O6
IUPAC Name (4s,4ar,5r,8r,8ar)-4-decanoyloxy-8-(1-formylvinyl)-5-methyl-7-oxo-4,4a,5,6,8,8a-hexahydro-3h-naphthalene-2-carboxylic acid
Molecular Mass 432.550 g·mol−1
Heat of Formation -1198.0 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 552.57 Å 3
Surface Area 403.02 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
InChIKey VCPVUAOJECJROT-VEVIYWHPSA-N
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