(1S,3R,6Z,20R)-9,10-Secocholesta-5(10),6,8-Triene-1,3-Diyl Diacetate

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Formula C31H48O4
IUPAC Name [(1r,5s)-3-[(e)-2-[(1r,3ar,7ar)-1-[(1r)-1,5-dimethylhexyl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]vinyl]-5-acetoxy-4-methyl-cyclohex-3-en-1-yl] acetate
Molecular Mass 484.710 g·mol−1
Heat of Formation -891.3 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 660.86 Å 3
Surface Area 514.39 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
InChIKey YLYNCPGDKZTDMI-UHUFWPJVSA-N
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