9,10-Secocholesta-5,7,10-Trien-3-Yl Butyrate

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Formula C31H50O2
IUPAC Name [(1r,3z)-3-[(2e)-2-[(1s,3as,7ar)-1-[(1r)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexyl] butanoate
Molecular Mass 454.728 g·mol−1
Heat of Formation -570.1 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 635.05 Å 3
Surface Area 524.23 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 3.41 ± eV
Point Group Symmetry C1
InChIKey QUUDUVNKJWQDFG-DZNVAQRESA-N
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