3-Hydroxycholest-7-Ene-9-Carbonitrile

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Formula C28H45NO
IUPAC Name (3r,5s,9s,10s,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-9-carbonitrile
Molecular Mass 411.663 g·mol−1
Heat of Formation -392.5 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 562.37 Å 3
Surface Area 428.23 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 0.80 ± eV
Point Group Symmetry C1
InChIKey CXLGIADFEIBZIM-UBTZBORXSA-N
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