Methyl (5α)-3-Oxocholest-1-En-21-Oate

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Formula C28H44O3
IUPAC Name methyl (2r)-2-[(5s,8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-heptanoate
Molecular Mass 428.647 g·mol−1
Heat of Formation -794.9 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 573.99 Å 3
Surface Area 448.5 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
InChIKey LTTLIRHGLXHJJP-CNMDJWEVSA-N
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