3A-Cholesterol Acetate

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Formula C29H48O2
IUPAC Name [(3s,8s,9s,10r,13r,14r,17s)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 428.690 g·mol−1
Heat of Formation -734.4 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 591.94 Å 3
Surface Area 465.41 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 1.22 ± eV
Point Group Symmetry C1
InChIKey XUGISPSHIFXEHZ-YMDULWAJSA-N
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Elements H C O