(3β,17Xi)-Cholest-5-En-3-Yl Octanoate

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Formula C35H22O2
IUPAC Name [(3s,8s,9s,10r,13r,14s)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] octanoate
Molecular Mass 474.548 g·mol−1
Heat of Formation 5075.1 ± 16.7 kJ·mol−1
Dipole Moment 12.77 ± 1.08 D
Volume 538.39 Å 3
Surface Area 475.75 Å 2
HOMO Energy -7.81 ± 0.55 eV
LUMO Energy -2.56 ± eV
Point Group Symmetry Cs
InChIKey SKLBBRQPVZDTNM-GMPVYNJVSA-N
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Elements C O